USER MOD reduce.3.24.130724 H: found=0, std=0, add=630, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 632 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 52 SER OG : rot 180:sc= -0.212 USER MOD Set 1.2: A 54 THR OG1 : rot -57:sc= 0.0236 USER MOD Set 2.1: A 26 SER OG : rot -130:sc= 0.283 USER MOD Set 2.2: A 50 LYS NZ :NH3+ -125:sc= 0.265 (180deg=-0.939) USER MOD Single : A 14 CYS SG : rot 180:sc= -2.63! USER MOD Single : A 16 GLN : amide:sc= -0.579 K(o=-0.58,f=-1.8!) USER MOD Single : A 17 LYS NZ :NH3+ 166:sc= -1.24 (180deg=-2.04!) USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 73 ASN : amide:sc= -3.82 K(o=-3.8,f=-7.3!) USER MOD Single : A 74 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 75 GLN : amide:sc= -0.354 K(o=-0.35,f=-2.1!) USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 81 THR OG1 : rot 180:sc= 0 USER MOD Single : A 82 HIS : no HE2:sc= -2.53 K(o=-2.5,f=-8.9!) USER MOD Single : A 87 GLN : amide:sc= -3.54! C(o=-3.5!,f=-3.5!) USER MOD Single : A 91 SER OG : rot 90:sc= 1.14 USER MOD Single : A 95 THR OG1 : rot 75:sc= 0.31 USER MOD Single : A 97 THR OG1 : rot 180:sc= 0 USER MOD Single : A 101 CYS SG : rot 14:sc= 0.309 USER MOD ----------------------------------------------------------------- ATOM 80 N GLY A 9 -5.015 15.842 3.940 1.00 0.00 N ATOM 81 CA GLY A 9 -4.238 14.754 3.375 1.00 0.00 C ATOM 82 C GLY A 9 -2.751 14.916 3.621 1.00 0.00 C ATOM 83 O GLY A 9 -2.042 13.935 3.852 1.00 0.00 O ATOM 0 HA2 GLY A 9 -4.574 13.810 3.805 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -4.422 14.699 2.302 1.00 0.00 H new ATOM 87 N LEU A 10 -2.276 16.155 3.571 1.00 0.00 N ATOM 88 CA LEU A 10 -0.862 16.442 3.788 1.00 0.00 C ATOM 89 C LEU A 10 -0.539 16.489 5.278 1.00 0.00 C ATOM 90 O LEU A 10 0.213 17.351 5.733 1.00 0.00 O ATOM 91 CB LEU A 10 -0.484 17.770 3.130 1.00 0.00 C ATOM 92 CG LEU A 10 -1.425 18.945 3.400 1.00 0.00 C ATOM 93 CD1 LEU A 10 -2.558 18.964 2.386 1.00 0.00 C ATOM 94 CD2 LEU A 10 -1.976 18.873 4.816 1.00 0.00 C ATOM 0 H LEU A 10 -2.849 16.977 3.382 1.00 0.00 H new ATOM 0 HA LEU A 10 -0.280 15.640 3.334 1.00 0.00 H new ATOM 0 HB2 LEU A 10 0.516 18.047 3.465 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -0.428 17.616 2.052 1.00 0.00 H new ATOM 0 HG LEU A 10 -0.858 19.870 3.299 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -3.218 19.807 2.593 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -2.146 19.064 1.382 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -3.124 18.035 2.455 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -2.643 19.717 4.990 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -2.527 17.942 4.945 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -1.152 18.909 5.529 1.00 0.00 H new ATOM 106 N ARG A 11 -1.112 15.557 6.033 1.00 0.00 N ATOM 107 CA ARG A 11 -0.884 15.492 7.471 1.00 0.00 C ATOM 108 C ARG A 11 -0.072 14.253 7.838 1.00 0.00 C ATOM 109 O ARG A 11 -0.118 13.241 7.140 1.00 0.00 O ATOM 110 CB ARG A 11 -2.218 15.481 8.220 1.00 0.00 C ATOM 111 CG ARG A 11 -2.941 16.818 8.198 1.00 0.00 C ATOM 112 CD ARG A 11 -2.247 17.840 9.084 1.00 0.00 C ATOM 113 NE ARG A 11 -2.746 17.805 10.456 1.00 0.00 N ATOM 114 CZ ARG A 11 -2.138 18.402 11.475 1.00 0.00 C ATOM 115 NH1 ARG A 11 -1.014 19.077 11.278 1.00 0.00 N ATOM 116 NH2 ARG A 11 -2.655 18.325 12.695 1.00 0.00 N ATOM 0 H ARG A 11 -1.738 14.837 5.672 1.00 0.00 H new ATOM 0 HA ARG A 11 -0.317 16.376 7.764 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -2.865 14.721 7.782 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -2.041 15.190 9.256 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -2.986 17.192 7.175 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -3.969 16.683 8.533 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -1.174 17.650 9.084 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -2.394 18.838 8.670 1.00 0.00 H new ATOM 0 HE ARG A 11 -3.609 17.294 10.642 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -0.614 19.139 10.342 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -0.550 19.534 12.063 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -3.520 17.807 12.851 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -2.187 18.784 13.477 1.00 0.00 H new ATOM 130 N GLU A 12 0.670 14.343 8.937 1.00 0.00 N ATOM 131 CA GLU A 12 1.493 13.229 9.394 1.00 0.00 C ATOM 132 C GLU A 12 0.624 12.073 9.878 1.00 0.00 C ATOM 133 O GLU A 12 -0.018 12.159 10.926 1.00 0.00 O ATOM 134 CB GLU A 12 2.427 13.684 10.518 1.00 0.00 C ATOM 135 CG GLU A 12 3.638 12.786 10.705 1.00 0.00 C ATOM 136 CD GLU A 12 4.722 13.433 11.545 1.00 0.00 C ATOM 137 OE1 GLU A 12 5.596 14.112 10.966 1.00 0.00 O ATOM 138 OE2 GLU A 12 4.694 13.262 12.781 1.00 0.00 O ATOM 0 H GLU A 12 0.718 15.174 9.527 1.00 0.00 H new ATOM 0 HA GLU A 12 2.091 12.883 8.551 1.00 0.00 H new ATOM 0 HB2 GLU A 12 2.767 14.698 10.308 1.00 0.00 H new ATOM 0 HB3 GLU A 12 1.866 13.722 11.452 1.00 0.00 H new ATOM 0 HG2 GLU A 12 3.325 11.855 11.177 1.00 0.00 H new ATOM 0 HG3 GLU A 12 4.047 12.526 9.729 1.00 0.00 H new ATOM 145 N LEU A 13 0.606 10.991 9.108 1.00 0.00 N ATOM 146 CA LEU A 13 -0.185 9.816 9.456 1.00 0.00 C ATOM 147 C LEU A 13 0.711 8.681 9.942 1.00 0.00 C ATOM 148 O LEU A 13 1.934 8.741 9.809 1.00 0.00 O ATOM 149 CB LEU A 13 -1.005 9.353 8.250 1.00 0.00 C ATOM 150 CG LEU A 13 -2.343 10.061 8.037 1.00 0.00 C ATOM 151 CD1 LEU A 13 -2.889 9.763 6.650 1.00 0.00 C ATOM 152 CD2 LEU A 13 -3.343 9.645 9.106 1.00 0.00 C ATOM 0 H LEU A 13 1.131 10.903 8.238 1.00 0.00 H new ATOM 0 HA LEU A 13 -0.863 10.091 10.264 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -0.400 9.484 7.353 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -1.194 8.285 8.353 1.00 0.00 H new ATOM 0 HG LEU A 13 -2.180 11.136 8.118 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -3.842 10.275 6.516 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -2.181 10.111 5.898 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -3.036 8.689 6.540 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -4.290 10.159 8.938 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -3.501 8.568 9.057 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -2.955 9.910 10.090 1.00 0.00 H new ATOM 164 N CYS A 14 0.094 7.647 10.504 1.00 0.00 N ATOM 165 CA CYS A 14 0.836 6.497 11.009 1.00 0.00 C ATOM 166 C CYS A 14 -0.012 5.231 10.942 1.00 0.00 C ATOM 167 O CYS A 14 -1.234 5.283 11.083 1.00 0.00 O ATOM 168 CB CYS A 14 1.287 6.747 12.449 1.00 0.00 C ATOM 169 SG CYS A 14 1.615 8.484 12.829 1.00 0.00 S ATOM 0 H CYS A 14 -0.917 7.581 10.621 1.00 0.00 H new ATOM 0 HA CYS A 14 1.715 6.358 10.379 1.00 0.00 H new ATOM 0 HB2 CYS A 14 0.519 6.376 13.128 1.00 0.00 H new ATOM 0 HB3 CYS A 14 2.190 6.167 12.641 1.00 0.00 H new ATOM 0 HG CYS A 14 1.988 8.594 14.069 1.00 0.00 H new ATOM 175 N ILE A 15 0.644 4.097 10.723 1.00 0.00 N ATOM 176 CA ILE A 15 -0.050 2.818 10.637 1.00 0.00 C ATOM 177 C ILE A 15 0.421 1.862 11.727 1.00 0.00 C ATOM 178 O ILE A 15 1.601 1.521 11.800 1.00 0.00 O ATOM 179 CB ILE A 15 0.161 2.155 9.262 1.00 0.00 C ATOM 180 CG1 ILE A 15 -0.361 3.064 8.148 1.00 0.00 C ATOM 181 CG2 ILE A 15 -0.530 0.800 9.216 1.00 0.00 C ATOM 182 CD1 ILE A 15 -0.134 2.509 6.759 1.00 0.00 C ATOM 0 H ILE A 15 1.655 4.038 10.602 1.00 0.00 H new ATOM 0 HA ILE A 15 -1.111 3.025 10.773 1.00 0.00 H new ATOM 0 HB ILE A 15 1.229 2.001 9.109 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -1.428 3.229 8.295 1.00 0.00 H new ATOM 0 HG13 ILE A 15 0.125 4.036 8.226 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -0.372 0.344 8.239 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -0.115 0.154 9.989 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -1.599 0.931 9.387 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -0.529 3.206 6.020 1.00 0.00 H new ATOM 0 HD12 ILE A 15 0.934 2.371 6.593 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -0.643 1.550 6.663 1.00 0.00 H new ATOM 194 N GLN A 16 -0.511 1.431 12.572 1.00 0.00 N ATOM 195 CA GLN A 16 -0.191 0.513 13.658 1.00 0.00 C ATOM 196 C GLN A 16 -0.300 -0.936 13.196 1.00 0.00 C ATOM 197 O GLN A 16 -1.333 -1.357 12.675 1.00 0.00 O ATOM 198 CB GLN A 16 -1.123 0.753 14.848 1.00 0.00 C ATOM 199 CG GLN A 16 -0.594 1.778 15.838 1.00 0.00 C ATOM 200 CD GLN A 16 -1.053 3.187 15.519 1.00 0.00 C ATOM 201 OE1 GLN A 16 -2.110 3.388 14.921 1.00 0.00 O ATOM 202 NE2 GLN A 16 -0.257 4.173 15.917 1.00 0.00 N ATOM 0 H GLN A 16 -1.493 1.703 12.525 1.00 0.00 H new ATOM 0 HA GLN A 16 0.837 0.700 13.967 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -2.093 1.085 14.478 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -1.286 -0.191 15.368 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -0.923 1.511 16.842 1.00 0.00 H new ATOM 0 HG3 GLN A 16 0.496 1.747 15.841 1.00 0.00 H new ATOM 0 HE21 GLN A 16 0.610 3.961 16.410 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -0.513 5.142 15.730 1.00 0.00 H new ATOM 211 N LYS A 17 0.773 -1.696 13.389 1.00 0.00 N ATOM 212 CA LYS A 17 0.799 -3.099 12.993 1.00 0.00 C ATOM 213 C LYS A 17 1.486 -3.951 14.055 1.00 0.00 C ATOM 214 O LYS A 17 2.114 -3.427 14.974 1.00 0.00 O ATOM 215 CB LYS A 17 1.518 -3.258 11.652 1.00 0.00 C ATOM 216 CG LYS A 17 3.019 -3.449 11.785 1.00 0.00 C ATOM 217 CD LYS A 17 3.738 -3.148 10.481 1.00 0.00 C ATOM 218 CE LYS A 17 3.737 -1.658 10.176 1.00 0.00 C ATOM 219 NZ LYS A 17 4.385 -0.869 11.260 1.00 0.00 N ATOM 0 H LYS A 17 1.637 -1.363 13.818 1.00 0.00 H new ATOM 0 HA LYS A 17 -0.231 -3.441 12.889 1.00 0.00 H new ATOM 0 HB2 LYS A 17 1.097 -4.113 11.123 1.00 0.00 H new ATOM 0 HB3 LYS A 17 1.325 -2.377 11.039 1.00 0.00 H new ATOM 0 HG2 LYS A 17 3.401 -2.797 12.571 1.00 0.00 H new ATOM 0 HG3 LYS A 17 3.231 -4.474 12.090 1.00 0.00 H new ATOM 0 HD2 LYS A 17 4.765 -3.508 10.539 1.00 0.00 H new ATOM 0 HD3 LYS A 17 3.257 -3.688 9.666 1.00 0.00 H new ATOM 0 HE2 LYS A 17 4.259 -1.480 9.236 1.00 0.00 H new ATOM 0 HE3 LYS A 17 2.711 -1.316 10.041 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 4.579 0.095 10.920 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 3.751 -0.825 12.083 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 5.278 -1.325 11.535 1.00 0.00 H new ATOM 233 N ALA A 18 1.364 -5.268 13.921 1.00 0.00 N ATOM 234 CA ALA A 18 1.977 -6.192 14.867 1.00 0.00 C ATOM 235 C ALA A 18 3.439 -5.836 15.114 1.00 0.00 C ATOM 236 O ALA A 18 4.029 -5.012 14.415 1.00 0.00 O ATOM 237 CB ALA A 18 1.858 -7.622 14.360 1.00 0.00 C ATOM 0 H ALA A 18 0.846 -5.719 13.166 1.00 0.00 H new ATOM 0 HA ALA A 18 1.445 -6.109 15.815 1.00 0.00 H new ATOM 0 HB1 ALA A 18 2.320 -8.302 15.076 1.00 0.00 H new ATOM 0 HB2 ALA A 18 0.806 -7.880 14.242 1.00 0.00 H new ATOM 0 HB3 ALA A 18 2.363 -7.710 13.398 1.00 0.00 H new ATOM 243 N PRO A 19 4.039 -6.469 16.133 1.00 0.00 N ATOM 244 CA PRO A 19 5.440 -6.235 16.495 1.00 0.00 C ATOM 245 C PRO A 19 6.408 -6.785 15.454 1.00 0.00 C ATOM 246 O PRO A 19 7.625 -6.705 15.620 1.00 0.00 O ATOM 247 CB PRO A 19 5.594 -6.988 17.819 1.00 0.00 C ATOM 248 CG PRO A 19 4.550 -8.049 17.775 1.00 0.00 C ATOM 249 CD PRO A 19 3.397 -7.464 17.008 1.00 0.00 C ATOM 0 HA PRO A 19 5.671 -5.172 16.563 1.00 0.00 H new ATOM 0 HB2 PRO A 19 6.591 -7.418 17.916 1.00 0.00 H new ATOM 0 HB3 PRO A 19 5.448 -6.324 18.671 1.00 0.00 H new ATOM 0 HG2 PRO A 19 4.927 -8.948 17.287 1.00 0.00 H new ATOM 0 HG3 PRO A 19 4.244 -8.337 18.781 1.00 0.00 H new ATOM 0 HD2 PRO A 19 2.870 -8.225 16.432 1.00 0.00 H new ATOM 0 HD3 PRO A 19 2.665 -7.003 17.672 1.00 0.00 H new ATOM 257 N GLY A 20 5.860 -7.343 14.379 1.00 0.00 N ATOM 258 CA GLY A 20 6.690 -7.898 13.326 1.00 0.00 C ATOM 259 C GLY A 20 5.890 -8.277 12.096 1.00 0.00 C ATOM 260 O GLY A 20 6.195 -9.267 11.431 1.00 0.00 O ATOM 0 H GLY A 20 4.856 -7.421 14.219 1.00 0.00 H new ATOM 0 HA2 GLY A 20 7.454 -7.172 13.049 1.00 0.00 H new ATOM 0 HA3 GLY A 20 7.209 -8.779 13.703 1.00 0.00 H new ATOM 264 N GLU A 21 4.863 -7.489 11.794 1.00 0.00 N ATOM 265 CA GLU A 21 4.016 -7.751 10.636 1.00 0.00 C ATOM 266 C GLU A 21 4.422 -6.873 9.455 1.00 0.00 C ATOM 267 O GLU A 21 4.911 -5.758 9.636 1.00 0.00 O ATOM 268 CB GLU A 21 2.546 -7.505 10.986 1.00 0.00 C ATOM 269 CG GLU A 21 1.590 -7.804 9.844 1.00 0.00 C ATOM 270 CD GLU A 21 1.828 -9.169 9.226 1.00 0.00 C ATOM 271 OE1 GLU A 21 1.998 -10.144 9.988 1.00 0.00 O ATOM 272 OE2 GLU A 21 1.842 -9.262 7.981 1.00 0.00 O ATOM 0 H GLU A 21 4.598 -6.665 12.334 1.00 0.00 H new ATOM 0 HA GLU A 21 4.145 -8.795 10.352 1.00 0.00 H new ATOM 0 HB2 GLU A 21 2.278 -8.121 11.844 1.00 0.00 H new ATOM 0 HB3 GLU A 21 2.423 -6.465 11.289 1.00 0.00 H new ATOM 0 HG2 GLU A 21 0.565 -7.749 10.210 1.00 0.00 H new ATOM 0 HG3 GLU A 21 1.696 -7.038 9.076 1.00 0.00 H new ATOM 279 N ARG A 22 4.216 -7.385 8.247 1.00 0.00 N ATOM 280 CA ARG A 22 4.562 -6.650 7.036 1.00 0.00 C ATOM 281 C ARG A 22 3.392 -5.789 6.570 1.00 0.00 C ATOM 282 O ARG A 22 2.301 -6.295 6.304 1.00 0.00 O ATOM 283 CB ARG A 22 4.970 -7.619 5.925 1.00 0.00 C ATOM 284 CG ARG A 22 6.415 -8.078 6.017 1.00 0.00 C ATOM 285 CD ARG A 22 6.774 -9.022 4.880 1.00 0.00 C ATOM 286 NE ARG A 22 8.112 -9.586 5.038 1.00 0.00 N ATOM 287 CZ ARG A 22 8.732 -10.283 4.093 1.00 0.00 C ATOM 288 NH1 ARG A 22 8.138 -10.501 2.928 1.00 0.00 N ATOM 289 NH2 ARG A 22 9.949 -10.764 4.312 1.00 0.00 N ATOM 0 H ARG A 22 3.811 -8.306 8.080 1.00 0.00 H new ATOM 0 HA ARG A 22 5.403 -5.996 7.266 1.00 0.00 H new ATOM 0 HB2 ARG A 22 4.318 -8.492 5.958 1.00 0.00 H new ATOM 0 HB3 ARG A 22 4.811 -7.139 4.959 1.00 0.00 H new ATOM 0 HG2 ARG A 22 7.075 -7.211 5.994 1.00 0.00 H new ATOM 0 HG3 ARG A 22 6.579 -8.578 6.972 1.00 0.00 H new ATOM 0 HD2 ARG A 22 6.043 -9.830 4.835 1.00 0.00 H new ATOM 0 HD3 ARG A 22 6.716 -8.487 3.932 1.00 0.00 H new ATOM 0 HE ARG A 22 8.597 -9.436 5.923 1.00 0.00 H new ATOM 0 HH11 ARG A 22 7.202 -10.133 2.756 1.00 0.00 H new ATOM 0 HH12 ARG A 22 8.617 -11.037 2.204 1.00 0.00 H new ATOM 0 HH21 ARG A 22 10.409 -10.599 5.207 1.00 0.00 H new ATOM 0 HH22 ARG A 22 10.424 -11.299 3.585 1.00 0.00 H new ATOM 303 N LEU A 23 3.626 -4.484 6.474 1.00 0.00 N ATOM 304 CA LEU A 23 2.591 -3.551 6.041 1.00 0.00 C ATOM 305 C LEU A 23 1.658 -4.205 5.027 1.00 0.00 C ATOM 306 O LEU A 23 0.437 -4.099 5.133 1.00 0.00 O ATOM 307 CB LEU A 23 3.228 -2.300 5.434 1.00 0.00 C ATOM 308 CG LEU A 23 2.467 -0.990 5.644 1.00 0.00 C ATOM 309 CD1 LEU A 23 1.016 -1.141 5.216 1.00 0.00 C ATOM 310 CD2 LEU A 23 2.553 -0.552 7.099 1.00 0.00 C ATOM 0 H LEU A 23 4.523 -4.049 6.690 1.00 0.00 H new ATOM 0 HA LEU A 23 2.004 -3.265 6.914 1.00 0.00 H new ATOM 0 HB2 LEU A 23 4.228 -2.187 5.852 1.00 0.00 H new ATOM 0 HB3 LEU A 23 3.346 -2.460 4.362 1.00 0.00 H new ATOM 0 HG LEU A 23 2.928 -0.220 5.025 1.00 0.00 H new ATOM 0 HD11 LEU A 23 0.491 -0.199 5.373 1.00 0.00 H new ATOM 0 HD12 LEU A 23 0.974 -1.409 4.160 1.00 0.00 H new ATOM 0 HD13 LEU A 23 0.542 -1.924 5.808 1.00 0.00 H new ATOM 0 HD21 LEU A 23 2.006 0.382 7.231 1.00 0.00 H new ATOM 0 HD22 LEU A 23 2.117 -1.321 7.737 1.00 0.00 H new ATOM 0 HD23 LEU A 23 3.597 -0.403 7.373 1.00 0.00 H new ATOM 322 N GLY A 24 2.243 -4.884 4.044 1.00 0.00 N ATOM 323 CA GLY A 24 1.449 -5.547 3.026 1.00 0.00 C ATOM 324 C GLY A 24 0.911 -4.580 1.990 1.00 0.00 C ATOM 325 O GLY A 24 -0.248 -4.675 1.585 1.00 0.00 O ATOM 0 H GLY A 24 3.252 -4.986 3.935 1.00 0.00 H new ATOM 0 HA2 GLY A 24 2.057 -6.304 2.531 1.00 0.00 H new ATOM 0 HA3 GLY A 24 0.617 -6.067 3.500 1.00 0.00 H new ATOM 329 N ILE A 25 1.754 -3.647 1.559 1.00 0.00 N ATOM 330 CA ILE A 25 1.356 -2.659 0.564 1.00 0.00 C ATOM 331 C ILE A 25 2.320 -2.651 -0.618 1.00 0.00 C ATOM 332 O ILE A 25 3.392 -3.253 -0.562 1.00 0.00 O ATOM 333 CB ILE A 25 1.292 -1.245 1.170 1.00 0.00 C ATOM 334 CG1 ILE A 25 2.452 -1.030 2.144 1.00 0.00 C ATOM 335 CG2 ILE A 25 -0.042 -1.029 1.870 1.00 0.00 C ATOM 336 CD1 ILE A 25 2.825 0.425 2.327 1.00 0.00 C ATOM 0 H ILE A 25 2.717 -3.555 1.883 1.00 0.00 H new ATOM 0 HA ILE A 25 0.362 -2.942 0.217 1.00 0.00 H new ATOM 0 HB ILE A 25 1.380 -0.516 0.364 1.00 0.00 H new ATOM 0 HG12 ILE A 25 2.186 -1.453 3.113 1.00 0.00 H new ATOM 0 HG13 ILE A 25 3.323 -1.578 1.785 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -0.072 -0.025 2.293 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -0.853 -1.144 1.151 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -0.157 -1.763 2.668 1.00 0.00 H new ATOM 0 HD11 ILE A 25 3.654 0.502 3.030 1.00 0.00 H new ATOM 0 HD12 ILE A 25 3.123 0.848 1.367 1.00 0.00 H new ATOM 0 HD13 ILE A 25 1.967 0.974 2.715 1.00 0.00 H new ATOM 348 N SER A 26 1.931 -1.962 -1.686 1.00 0.00 N ATOM 349 CA SER A 26 2.759 -1.876 -2.883 1.00 0.00 C ATOM 350 C SER A 26 2.739 -0.463 -3.457 1.00 0.00 C ATOM 351 O SER A 26 1.709 0.212 -3.437 1.00 0.00 O ATOM 352 CB SER A 26 2.275 -2.874 -3.937 1.00 0.00 C ATOM 353 OG SER A 26 3.004 -4.087 -3.863 1.00 0.00 O ATOM 0 H SER A 26 1.048 -1.455 -1.747 1.00 0.00 H new ATOM 0 HA SER A 26 3.784 -2.122 -2.604 1.00 0.00 H new ATOM 0 HB2 SER A 26 1.213 -3.075 -3.792 1.00 0.00 H new ATOM 0 HB3 SER A 26 2.385 -2.440 -4.931 1.00 0.00 H new ATOM 0 HG SER A 26 3.325 -4.331 -4.756 1.00 0.00 H new ATOM 359 N ILE A 27 3.884 -0.022 -3.968 1.00 0.00 N ATOM 360 CA ILE A 27 3.997 1.310 -4.549 1.00 0.00 C ATOM 361 C ILE A 27 4.614 1.251 -5.943 1.00 0.00 C ATOM 362 O ILE A 27 5.225 0.251 -6.321 1.00 0.00 O ATOM 363 CB ILE A 27 4.847 2.240 -3.663 1.00 0.00 C ATOM 364 CG1 ILE A 27 6.287 1.729 -3.584 1.00 0.00 C ATOM 365 CG2 ILE A 27 4.240 2.347 -2.272 1.00 0.00 C ATOM 366 CD1 ILE A 27 7.215 2.650 -2.823 1.00 0.00 C ATOM 0 H ILE A 27 4.746 -0.567 -3.991 1.00 0.00 H new ATOM 0 HA ILE A 27 2.986 1.711 -4.618 1.00 0.00 H new ATOM 0 HB ILE A 27 4.858 3.234 -4.111 1.00 0.00 H new ATOM 0 HG12 ILE A 27 6.290 0.749 -3.107 1.00 0.00 H new ATOM 0 HG13 ILE A 27 6.672 1.593 -4.595 1.00 0.00 H new ATOM 0 HG21 ILE A 27 4.852 3.008 -1.658 1.00 0.00 H new ATOM 0 HG22 ILE A 27 3.231 2.752 -2.346 1.00 0.00 H new ATOM 0 HG23 ILE A 27 4.202 1.358 -1.815 1.00 0.00 H new ATOM 0 HD11 ILE A 27 8.218 2.224 -2.808 1.00 0.00 H new ATOM 0 HD12 ILE A 27 7.242 3.624 -3.311 1.00 0.00 H new ATOM 0 HD13 ILE A 27 6.855 2.766 -1.801 1.00 0.00 H new ATOM 378 N ARG A 28 4.451 2.330 -6.702 1.00 0.00 N ATOM 379 CA ARG A 28 4.992 2.401 -8.054 1.00 0.00 C ATOM 380 C ARG A 28 5.686 3.739 -8.292 1.00 0.00 C ATOM 381 O ARG A 28 5.090 4.800 -8.110 1.00 0.00 O ATOM 382 CB ARG A 28 3.878 2.202 -9.083 1.00 0.00 C ATOM 383 CG ARG A 28 2.761 3.227 -8.977 1.00 0.00 C ATOM 384 CD ARG A 28 1.608 2.893 -9.910 1.00 0.00 C ATOM 385 NE ARG A 28 0.351 3.489 -9.463 1.00 0.00 N ATOM 386 CZ ARG A 28 -0.827 3.218 -10.013 1.00 0.00 C ATOM 387 NH1 ARG A 28 -0.910 2.364 -11.024 1.00 0.00 N ATOM 388 NH2 ARG A 28 -1.926 3.801 -9.550 1.00 0.00 N ATOM 0 H ARG A 28 3.949 3.166 -6.404 1.00 0.00 H new ATOM 0 HA ARG A 28 5.728 1.604 -8.167 1.00 0.00 H new ATOM 0 HB2 ARG A 28 4.307 2.247 -10.084 1.00 0.00 H new ATOM 0 HB3 ARG A 28 3.457 1.204 -8.961 1.00 0.00 H new ATOM 0 HG2 ARG A 28 2.399 3.267 -7.950 1.00 0.00 H new ATOM 0 HG3 ARG A 28 3.150 4.217 -9.217 1.00 0.00 H new ATOM 0 HD2 ARG A 28 1.840 3.247 -10.914 1.00 0.00 H new ATOM 0 HD3 ARG A 28 1.494 1.811 -9.972 1.00 0.00 H new ATOM 0 HE ARG A 28 0.380 4.149 -8.686 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -0.068 1.913 -11.381 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -1.816 2.158 -11.444 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -1.866 4.457 -8.772 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -2.831 3.593 -9.973 1.00 0.00 H new ATOM 402 N GLY A 29 6.950 3.680 -8.699 1.00 0.00 N ATOM 403 CA GLY A 29 7.705 4.894 -8.954 1.00 0.00 C ATOM 404 C GLY A 29 9.203 4.667 -8.903 1.00 0.00 C ATOM 405 O GLY A 29 9.694 3.623 -9.329 1.00 0.00 O ATOM 0 H GLY A 29 7.465 2.814 -8.857 1.00 0.00 H new ATOM 0 HA2 GLY A 29 7.434 5.288 -9.933 1.00 0.00 H new ATOM 0 HA3 GLY A 29 7.430 5.650 -8.219 1.00 0.00 H new ATOM 409 N GLY A 30 9.931 5.648 -8.379 1.00 0.00 N ATOM 410 CA GLY A 30 11.374 5.532 -8.285 1.00 0.00 C ATOM 411 C GLY A 30 12.093 6.702 -8.927 1.00 0.00 C ATOM 412 O GLY A 30 11.617 7.268 -9.910 1.00 0.00 O ATOM 0 H GLY A 30 9.547 6.521 -8.018 1.00 0.00 H new ATOM 0 HA2 GLY A 30 11.662 5.464 -7.236 1.00 0.00 H new ATOM 0 HA3 GLY A 30 11.693 4.606 -8.764 1.00 0.00 H new ATOM 611 N GLY A 45 8.093 10.608 -9.416 1.00 0.00 N ATOM 612 CA GLY A 45 7.329 10.507 -8.187 1.00 0.00 C ATOM 613 C GLY A 45 7.031 9.070 -7.806 1.00 0.00 C ATOM 614 O GLY A 45 7.243 8.154 -8.600 1.00 0.00 O ATOM 0 HA2 GLY A 45 7.881 10.987 -7.379 1.00 0.00 H new ATOM 0 HA3 GLY A 45 6.392 11.052 -8.300 1.00 0.00 H new ATOM 618 N ILE A 46 6.540 8.873 -6.587 1.00 0.00 N ATOM 619 CA ILE A 46 6.214 7.538 -6.102 1.00 0.00 C ATOM 620 C ILE A 46 4.847 7.517 -5.427 1.00 0.00 C ATOM 621 O ILE A 46 4.632 8.187 -4.416 1.00 0.00 O ATOM 622 CB ILE A 46 7.273 7.025 -5.108 1.00 0.00 C ATOM 623 CG1 ILE A 46 8.651 6.987 -5.772 1.00 0.00 C ATOM 624 CG2 ILE A 46 6.890 5.647 -4.590 1.00 0.00 C ATOM 625 CD1 ILE A 46 9.798 7.032 -4.787 1.00 0.00 C ATOM 0 H ILE A 46 6.359 9.621 -5.917 1.00 0.00 H new ATOM 0 HA ILE A 46 6.197 6.882 -6.972 1.00 0.00 H new ATOM 0 HB ILE A 46 7.317 7.710 -4.261 1.00 0.00 H new ATOM 0 HG12 ILE A 46 8.732 6.080 -6.370 1.00 0.00 H new ATOM 0 HG13 ILE A 46 8.738 7.830 -6.458 1.00 0.00 H new ATOM 0 HG21 ILE A 46 7.648 5.298 -3.889 1.00 0.00 H new ATOM 0 HG22 ILE A 46 5.926 5.703 -4.084 1.00 0.00 H new ATOM 0 HG23 ILE A 46 6.821 4.950 -5.426 1.00 0.00 H new ATOM 0 HD11 ILE A 46 10.744 7.002 -5.328 1.00 0.00 H new ATOM 0 HD12 ILE A 46 9.742 7.952 -4.205 1.00 0.00 H new ATOM 0 HD13 ILE A 46 9.736 6.175 -4.117 1.00 0.00 H new ATOM 637 N PHE A 47 3.927 6.741 -5.990 1.00 0.00 N ATOM 638 CA PHE A 47 2.580 6.632 -5.442 1.00 0.00 C ATOM 639 C PHE A 47 2.164 5.170 -5.309 1.00 0.00 C ATOM 640 O PHE A 47 2.660 4.304 -6.032 1.00 0.00 O ATOM 641 CB PHE A 47 1.583 7.378 -6.331 1.00 0.00 C ATOM 642 CG PHE A 47 2.012 8.777 -6.670 1.00 0.00 C ATOM 643 CD1 PHE A 47 3.166 9.003 -7.403 1.00 0.00 C ATOM 644 CD2 PHE A 47 1.262 9.866 -6.256 1.00 0.00 C ATOM 645 CE1 PHE A 47 3.564 10.289 -7.717 1.00 0.00 C ATOM 646 CE2 PHE A 47 1.655 11.154 -6.568 1.00 0.00 C ATOM 647 CZ PHE A 47 2.808 11.365 -7.298 1.00 0.00 C ATOM 0 H PHE A 47 4.089 6.178 -6.825 1.00 0.00 H new ATOM 0 HA PHE A 47 2.581 7.084 -4.450 1.00 0.00 H new ATOM 0 HB2 PHE A 47 1.441 6.816 -7.254 1.00 0.00 H new ATOM 0 HB3 PHE A 47 0.617 7.415 -5.828 1.00 0.00 H new ATOM 0 HD1 PHE A 47 3.761 8.165 -7.733 1.00 0.00 H new ATOM 0 HD2 PHE A 47 0.360 9.707 -5.683 1.00 0.00 H new ATOM 0 HE1 PHE A 47 4.465 10.452 -8.289 1.00 0.00 H new ATOM 0 HE2 PHE A 47 1.061 11.995 -6.241 1.00 0.00 H new ATOM 0 HZ PHE A 47 3.118 12.371 -7.541 1.00 0.00 H new ATOM 657 N ILE A 48 1.253 4.902 -4.380 1.00 0.00 N ATOM 658 CA ILE A 48 0.770 3.546 -4.152 1.00 0.00 C ATOM 659 C ILE A 48 0.142 2.966 -5.415 1.00 0.00 C ATOM 660 O ILE A 48 -0.592 3.652 -6.127 1.00 0.00 O ATOM 661 CB ILE A 48 -0.263 3.500 -3.011 1.00 0.00 C ATOM 662 CG1 ILE A 48 0.367 3.981 -1.703 1.00 0.00 C ATOM 663 CG2 ILE A 48 -0.816 2.092 -2.853 1.00 0.00 C ATOM 664 CD1 ILE A 48 -0.637 4.526 -0.712 1.00 0.00 C ATOM 0 H ILE A 48 0.834 5.606 -3.773 1.00 0.00 H new ATOM 0 HA ILE A 48 1.636 2.946 -3.871 1.00 0.00 H new ATOM 0 HB ILE A 48 -1.088 4.167 -3.261 1.00 0.00 H new ATOM 0 HG12 ILE A 48 0.906 3.153 -1.243 1.00 0.00 H new ATOM 0 HG13 ILE A 48 1.102 4.755 -1.926 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -1.545 2.076 -2.043 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -1.298 1.784 -3.781 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -0.002 1.405 -2.622 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -0.119 4.848 0.191 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -1.159 5.375 -1.153 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -1.358 3.748 -0.459 1.00 0.00 H new ATOM 676 N SER A 49 0.435 1.698 -5.686 1.00 0.00 N ATOM 677 CA SER A 49 -0.099 1.026 -6.865 1.00 0.00 C ATOM 678 C SER A 49 -0.985 -0.150 -6.465 1.00 0.00 C ATOM 679 O SER A 49 -1.792 -0.634 -7.259 1.00 0.00 O ATOM 680 CB SER A 49 1.041 0.539 -7.761 1.00 0.00 C ATOM 681 OG SER A 49 1.703 -0.574 -7.185 1.00 0.00 O ATOM 0 H SER A 49 1.039 1.116 -5.106 1.00 0.00 H new ATOM 0 HA SER A 49 -0.705 1.743 -7.418 1.00 0.00 H new ATOM 0 HB2 SER A 49 0.647 0.265 -8.740 1.00 0.00 H new ATOM 0 HB3 SER A 49 1.754 1.348 -7.920 1.00 0.00 H new ATOM 0 HG SER A 49 2.426 -0.867 -7.778 1.00 0.00 H new ATOM 687 N LYS A 50 -0.828 -0.607 -5.227 1.00 0.00 N ATOM 688 CA LYS A 50 -1.612 -1.725 -4.718 1.00 0.00 C ATOM 689 C LYS A 50 -1.503 -1.820 -3.199 1.00 0.00 C ATOM 690 O LYS A 50 -0.524 -1.364 -2.608 1.00 0.00 O ATOM 691 CB LYS A 50 -1.144 -3.035 -5.356 1.00 0.00 C ATOM 692 CG LYS A 50 -1.758 -4.273 -4.725 1.00 0.00 C ATOM 693 CD LYS A 50 -1.506 -5.512 -5.567 1.00 0.00 C ATOM 694 CE LYS A 50 -0.246 -6.240 -5.125 1.00 0.00 C ATOM 695 NZ LYS A 50 0.984 -5.592 -5.658 1.00 0.00 N ATOM 0 H LYS A 50 -0.164 -0.219 -4.557 1.00 0.00 H new ATOM 0 HA LYS A 50 -2.656 -1.553 -4.980 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -1.389 -3.020 -6.418 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -0.059 -3.099 -5.280 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -1.342 -4.419 -3.728 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -2.831 -4.126 -4.604 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -2.361 -6.184 -5.492 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -1.415 -5.228 -6.615 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -0.202 -6.262 -4.036 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -0.287 -7.275 -5.463 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 1.548 -6.293 -6.180 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 0.718 -4.816 -6.298 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 1.546 -5.213 -4.869 1.00 0.00 H new ATOM 709 N VAL A 51 -2.513 -2.416 -2.574 1.00 0.00 N ATOM 710 CA VAL A 51 -2.529 -2.573 -1.124 1.00 0.00 C ATOM 711 C VAL A 51 -3.268 -3.843 -0.717 1.00 0.00 C ATOM 712 O VAL A 51 -4.397 -4.080 -1.146 1.00 0.00 O ATOM 713 CB VAL A 51 -3.190 -1.364 -0.436 1.00 0.00 C ATOM 714 CG1 VAL A 51 -3.273 -1.584 1.067 1.00 0.00 C ATOM 715 CG2 VAL A 51 -2.427 -0.087 -0.755 1.00 0.00 C ATOM 0 H VAL A 51 -3.331 -2.798 -3.049 1.00 0.00 H new ATOM 0 HA VAL A 51 -1.490 -2.642 -0.801 1.00 0.00 H new ATOM 0 HB VAL A 51 -4.205 -1.259 -0.820 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -3.743 -0.719 1.536 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -3.866 -2.475 1.272 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -2.269 -1.715 1.471 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -2.908 0.757 -0.261 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -1.400 -0.178 -0.400 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -2.425 0.076 -1.833 1.00 0.00 H new ATOM 725 N SER A 52 -2.623 -4.656 0.114 1.00 0.00 N ATOM 726 CA SER A 52 -3.218 -5.904 0.577 1.00 0.00 C ATOM 727 C SER A 52 -4.172 -5.652 1.740 1.00 0.00 C ATOM 728 O SER A 52 -3.902 -4.851 2.636 1.00 0.00 O ATOM 729 CB SER A 52 -2.126 -6.887 1.002 1.00 0.00 C ATOM 730 OG SER A 52 -2.682 -8.133 1.383 1.00 0.00 O ATOM 0 H SER A 52 -1.689 -4.473 0.480 1.00 0.00 H new ATOM 0 HA SER A 52 -3.785 -6.336 -0.248 1.00 0.00 H new ATOM 0 HB2 SER A 52 -1.425 -7.034 0.180 1.00 0.00 H new ATOM 0 HB3 SER A 52 -1.559 -6.469 1.834 1.00 0.00 H new ATOM 0 HG SER A 52 -1.964 -8.744 1.649 1.00 0.00 H new ATOM 736 N PRO A 53 -5.317 -6.351 1.728 1.00 0.00 N ATOM 737 CA PRO A 53 -6.335 -6.222 2.775 1.00 0.00 C ATOM 738 C PRO A 53 -5.876 -6.809 4.106 1.00 0.00 C ATOM 739 O PRO A 53 -6.291 -6.355 5.173 1.00 0.00 O ATOM 740 CB PRO A 53 -7.518 -7.018 2.219 1.00 0.00 C ATOM 741 CG PRO A 53 -6.906 -8.005 1.286 1.00 0.00 C ATOM 742 CD PRO A 53 -5.705 -7.323 0.692 1.00 0.00 C ATOM 0 HA PRO A 53 -6.568 -5.179 2.990 1.00 0.00 H new ATOM 0 HB2 PRO A 53 -8.069 -7.516 3.016 1.00 0.00 H new ATOM 0 HB3 PRO A 53 -8.224 -6.368 1.701 1.00 0.00 H new ATOM 0 HG2 PRO A 53 -6.617 -8.914 1.814 1.00 0.00 H new ATOM 0 HG3 PRO A 53 -7.612 -8.298 0.509 1.00 0.00 H new ATOM 0 HD2 PRO A 53 -4.903 -8.031 0.485 1.00 0.00 H new ATOM 0 HD3 PRO A 53 -5.947 -6.831 -0.250 1.00 0.00 H new ATOM 750 N THR A 54 -5.016 -7.820 4.036 1.00 0.00 N ATOM 751 CA THR A 54 -4.502 -8.469 5.235 1.00 0.00 C ATOM 752 C THR A 54 -3.361 -7.666 5.849 1.00 0.00 C ATOM 753 O THR A 54 -3.030 -7.835 7.022 1.00 0.00 O ATOM 754 CB THR A 54 -4.005 -9.896 4.933 1.00 0.00 C ATOM 755 OG1 THR A 54 -2.877 -9.845 4.052 1.00 0.00 O ATOM 756 CG2 THR A 54 -5.109 -10.731 4.303 1.00 0.00 C ATOM 0 H THR A 54 -4.661 -8.207 3.162 1.00 0.00 H new ATOM 0 HA THR A 54 -5.328 -8.522 5.944 1.00 0.00 H new ATOM 0 HB THR A 54 -3.711 -10.362 5.874 1.00 0.00 H new ATOM 0 HG1 THR A 54 -3.122 -9.363 3.234 1.00 0.00 H new ATOM 0 HG21 THR A 54 -4.735 -11.734 4.099 1.00 0.00 H new ATOM 0 HG22 THR A 54 -5.955 -10.792 4.988 1.00 0.00 H new ATOM 0 HG23 THR A 54 -5.429 -10.266 3.370 1.00 0.00 H new ATOM 764 N GLY A 55 -2.763 -6.789 5.048 1.00 0.00 N ATOM 765 CA GLY A 55 -1.665 -5.971 5.531 1.00 0.00 C ATOM 766 C GLY A 55 -2.114 -4.940 6.547 1.00 0.00 C ATOM 767 O GLY A 55 -3.311 -4.744 6.755 1.00 0.00 O ATOM 0 H GLY A 55 -3.019 -6.630 4.074 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -0.908 -6.613 5.980 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -1.195 -5.465 4.688 1.00 0.00 H new ATOM 771 N ALA A 56 -1.152 -4.280 7.183 1.00 0.00 N ATOM 772 CA ALA A 56 -1.455 -3.262 8.182 1.00 0.00 C ATOM 773 C ALA A 56 -2.272 -2.125 7.578 1.00 0.00 C ATOM 774 O ALA A 56 -3.118 -1.533 8.247 1.00 0.00 O ATOM 775 CB ALA A 56 -0.170 -2.724 8.793 1.00 0.00 C ATOM 0 H ALA A 56 -0.156 -4.432 7.024 1.00 0.00 H new ATOM 0 HA ALA A 56 -2.052 -3.726 8.967 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -0.411 -1.965 9.537 1.00 0.00 H new ATOM 0 HB2 ALA A 56 0.375 -3.539 9.269 1.00 0.00 H new ATOM 0 HB3 ALA A 56 0.448 -2.282 8.011 1.00 0.00 H new ATOM 781 N ALA A 57 -2.013 -1.826 6.309 1.00 0.00 N ATOM 782 CA ALA A 57 -2.726 -0.761 5.615 1.00 0.00 C ATOM 783 C ALA A 57 -4.170 -1.159 5.334 1.00 0.00 C ATOM 784 O ALA A 57 -5.100 -0.626 5.938 1.00 0.00 O ATOM 785 CB ALA A 57 -2.012 -0.406 4.318 1.00 0.00 C ATOM 0 H ALA A 57 -1.315 -2.306 5.741 1.00 0.00 H new ATOM 0 HA ALA A 57 -2.738 0.116 6.262 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -2.555 0.391 3.810 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -0.999 -0.070 4.540 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -1.970 -1.284 3.674 1.00 0.00 H new ATOM 791 N GLY A 58 -4.352 -2.100 4.413 1.00 0.00 N ATOM 792 CA GLY A 58 -5.687 -2.553 4.068 1.00 0.00 C ATOM 793 C GLY A 58 -6.603 -2.627 5.273 1.00 0.00 C ATOM 794 O GLY A 58 -7.775 -2.256 5.194 1.00 0.00 O ATOM 0 H GLY A 58 -3.599 -2.557 3.899 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -6.117 -1.877 3.329 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -5.625 -3.536 3.602 1.00 0.00 H new ATOM 798 N ARG A 59 -6.071 -3.109 6.391 1.00 0.00 N ATOM 799 CA ARG A 59 -6.850 -3.234 7.617 1.00 0.00 C ATOM 800 C ARG A 59 -7.044 -1.872 8.278 1.00 0.00 C ATOM 801 O ARG A 59 -8.086 -1.605 8.877 1.00 0.00 O ATOM 802 CB ARG A 59 -6.160 -4.192 8.590 1.00 0.00 C ATOM 803 CG ARG A 59 -4.901 -3.618 9.219 1.00 0.00 C ATOM 804 CD ARG A 59 -4.357 -4.531 10.307 1.00 0.00 C ATOM 805 NE ARG A 59 -3.670 -3.783 11.356 1.00 0.00 N ATOM 806 CZ ARG A 59 -3.463 -4.255 12.580 1.00 0.00 C ATOM 807 NH1 ARG A 59 -3.887 -5.468 12.907 1.00 0.00 N ATOM 808 NH2 ARG A 59 -2.829 -3.514 13.481 1.00 0.00 N ATOM 0 H ARG A 59 -5.103 -3.420 6.473 1.00 0.00 H new ATOM 0 HA ARG A 59 -7.829 -3.636 7.357 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -6.861 -4.461 9.380 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -5.906 -5.112 8.063 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -4.142 -3.474 8.450 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -5.118 -2.637 9.641 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -5.176 -5.101 10.745 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -3.669 -5.251 9.865 1.00 0.00 H new ATOM 0 HE ARG A 59 -3.330 -2.847 11.137 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -4.374 -6.041 12.218 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -3.727 -5.828 13.848 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -2.500 -2.581 13.234 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -2.671 -3.878 14.421 1.00 0.00 H new ATOM 822 N ASP A 60 -6.034 -1.017 8.165 1.00 0.00 N ATOM 823 CA ASP A 60 -6.093 0.317 8.752 1.00 0.00 C ATOM 824 C ASP A 60 -7.413 1.003 8.410 1.00 0.00 C ATOM 825 O ASP A 60 -8.223 1.287 9.292 1.00 0.00 O ATOM 826 CB ASP A 60 -4.921 1.167 8.259 1.00 0.00 C ATOM 827 CG ASP A 60 -4.992 2.597 8.757 1.00 0.00 C ATOM 828 OD1 ASP A 60 -5.337 2.797 9.940 1.00 0.00 O ATOM 829 OD2 ASP A 60 -4.703 3.516 7.963 1.00 0.00 O ATOM 0 H ASP A 60 -5.165 -1.223 7.673 1.00 0.00 H new ATOM 0 HA ASP A 60 -6.027 0.214 9.835 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -3.985 0.716 8.590 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -4.908 1.165 7.169 1.00 0.00 H new ATOM 834 N GLY A 61 -7.621 1.267 7.124 1.00 0.00 N ATOM 835 CA GLY A 61 -8.843 1.918 6.689 1.00 0.00 C ATOM 836 C GLY A 61 -8.578 3.220 5.960 1.00 0.00 C ATOM 837 O GLY A 61 -9.436 3.716 5.229 1.00 0.00 O ATOM 0 H GLY A 61 -6.965 1.042 6.376 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -9.397 1.245 6.034 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -9.476 2.112 7.555 1.00 0.00 H new ATOM 841 N ARG A 62 -7.388 3.777 6.160 1.00 0.00 N ATOM 842 CA ARG A 62 -7.014 5.031 5.518 1.00 0.00 C ATOM 843 C ARG A 62 -6.203 4.773 4.251 1.00 0.00 C ATOM 844 O ARG A 62 -6.617 5.142 3.151 1.00 0.00 O ATOM 845 CB ARG A 62 -6.208 5.902 6.484 1.00 0.00 C ATOM 846 CG ARG A 62 -6.934 6.202 7.785 1.00 0.00 C ATOM 847 CD ARG A 62 -5.985 6.749 8.839 1.00 0.00 C ATOM 848 NE ARG A 62 -5.296 5.683 9.562 1.00 0.00 N ATOM 849 CZ ARG A 62 -4.733 5.848 10.753 1.00 0.00 C ATOM 850 NH1 ARG A 62 -4.777 7.030 11.353 1.00 0.00 N ATOM 851 NH2 ARG A 62 -4.124 4.830 11.348 1.00 0.00 N ATOM 0 H ARG A 62 -6.667 3.379 6.762 1.00 0.00 H new ATOM 0 HA ARG A 62 -7.929 5.556 5.242 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -5.266 5.402 6.710 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -5.960 6.842 5.991 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -7.730 6.924 7.601 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -7.407 5.293 8.157 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -5.250 7.398 8.363 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -6.543 7.364 9.545 1.00 0.00 H new ATOM 0 HE ARG A 62 -5.245 4.761 9.128 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -5.244 7.815 10.899 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -4.344 7.154 12.268 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -4.088 3.919 10.890 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -3.692 4.958 12.263 1.00 0.00 H new ATOM 865 N LEU A 63 -5.048 4.138 4.414 1.00 0.00 N ATOM 866 CA LEU A 63 -4.178 3.831 3.283 1.00 0.00 C ATOM 867 C LEU A 63 -4.977 3.236 2.128 1.00 0.00 C ATOM 868 O LEU A 63 -5.797 2.339 2.324 1.00 0.00 O ATOM 869 CB LEU A 63 -3.077 2.859 3.711 1.00 0.00 C ATOM 870 CG LEU A 63 -1.833 2.821 2.823 1.00 0.00 C ATOM 871 CD1 LEU A 63 -2.091 1.986 1.578 1.00 0.00 C ATOM 872 CD2 LEU A 63 -1.407 4.231 2.442 1.00 0.00 C ATOM 0 H LEU A 63 -4.692 3.826 5.317 1.00 0.00 H new ATOM 0 HA LEU A 63 -3.722 4.761 2.944 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -2.768 3.115 4.724 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -3.501 1.856 3.751 1.00 0.00 H new ATOM 0 HG LEU A 63 -1.023 2.357 3.385 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -1.195 1.970 0.958 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -2.348 0.968 1.870 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -2.915 2.421 1.013 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -0.520 4.185 1.810 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -2.215 4.721 1.898 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -1.180 4.799 3.344 1.00 0.00 H new ATOM 884 N ARG A 64 -4.730 3.740 0.923 1.00 0.00 N ATOM 885 CA ARG A 64 -5.426 3.258 -0.264 1.00 0.00 C ATOM 886 C ARG A 64 -4.607 3.531 -1.522 1.00 0.00 C ATOM 887 O ARG A 64 -3.850 4.501 -1.585 1.00 0.00 O ATOM 888 CB ARG A 64 -6.799 3.922 -0.382 1.00 0.00 C ATOM 889 CG ARG A 64 -6.741 5.441 -0.405 1.00 0.00 C ATOM 890 CD ARG A 64 -8.041 6.040 -0.919 1.00 0.00 C ATOM 891 NE ARG A 64 -7.826 7.320 -1.589 1.00 0.00 N ATOM 892 CZ ARG A 64 -8.766 8.251 -1.712 1.00 0.00 C ATOM 893 NH1 ARG A 64 -9.977 8.046 -1.213 1.00 0.00 N ATOM 894 NH2 ARG A 64 -8.494 9.391 -2.335 1.00 0.00 N ATOM 0 H ARG A 64 -4.053 4.482 0.743 1.00 0.00 H new ATOM 0 HA ARG A 64 -5.559 2.181 -0.164 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -7.286 3.572 -1.292 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -7.421 3.603 0.455 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -6.539 5.814 0.599 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -5.915 5.765 -1.037 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -8.513 5.343 -1.612 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -8.731 6.178 -0.086 1.00 0.00 H new ATOM 0 HE ARG A 64 -6.905 7.509 -1.984 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -10.189 7.171 -0.733 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -10.696 8.763 -1.309 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -7.563 9.553 -2.720 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -9.216 10.105 -2.429 1.00 0.00 H new ATOM 908 N VAL A 65 -4.763 2.670 -2.522 1.00 0.00 N ATOM 909 CA VAL A 65 -4.039 2.818 -3.779 1.00 0.00 C ATOM 910 C VAL A 65 -4.393 4.133 -4.465 1.00 0.00 C ATOM 911 O VAL A 65 -5.437 4.250 -5.106 1.00 0.00 O ATOM 912 CB VAL A 65 -4.339 1.653 -4.741 1.00 0.00 C ATOM 913 CG1 VAL A 65 -3.506 1.778 -6.007 1.00 0.00 C ATOM 914 CG2 VAL A 65 -4.086 0.319 -4.055 1.00 0.00 C ATOM 0 H VAL A 65 -5.385 1.862 -2.486 1.00 0.00 H new ATOM 0 HA VAL A 65 -2.977 2.813 -3.535 1.00 0.00 H new ATOM 0 HB VAL A 65 -5.391 1.697 -5.022 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -3.731 0.946 -6.674 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -3.741 2.718 -6.506 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -2.447 1.759 -5.749 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -4.303 -0.494 -4.748 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -3.043 0.262 -3.744 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -4.731 0.231 -3.181 1.00 0.00 H new ATOM 924 N GLY A 66 -3.515 5.122 -4.326 1.00 0.00 N ATOM 925 CA GLY A 66 -3.753 6.416 -4.939 1.00 0.00 C ATOM 926 C GLY A 66 -3.057 7.543 -4.201 1.00 0.00 C ATOM 927 O GLY A 66 -2.845 8.621 -4.757 1.00 0.00 O ATOM 0 H GLY A 66 -2.644 5.050 -3.800 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -3.407 6.394 -5.972 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -4.825 6.611 -4.966 1.00 0.00 H new ATOM 931 N LEU A 67 -2.703 7.296 -2.945 1.00 0.00 N ATOM 932 CA LEU A 67 -2.028 8.299 -2.128 1.00 0.00 C ATOM 933 C LEU A 67 -0.550 8.395 -2.494 1.00 0.00 C ATOM 934 O LEU A 67 0.102 7.383 -2.754 1.00 0.00 O ATOM 935 CB LEU A 67 -2.177 7.961 -0.644 1.00 0.00 C ATOM 936 CG LEU A 67 -3.598 8.013 -0.083 1.00 0.00 C ATOM 937 CD1 LEU A 67 -3.757 7.022 1.060 1.00 0.00 C ATOM 938 CD2 LEU A 67 -3.938 9.422 0.379 1.00 0.00 C ATOM 0 H LEU A 67 -2.872 6.410 -2.470 1.00 0.00 H new ATOM 0 HA LEU A 67 -2.495 9.265 -2.323 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -1.779 6.960 -0.478 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -1.556 8.650 -0.071 1.00 0.00 H new ATOM 0 HG LEU A 67 -4.292 7.735 -0.877 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -4.775 7.073 1.447 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -3.557 6.014 0.698 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -3.054 7.268 1.856 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -4.953 9.440 0.775 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -3.239 9.728 1.157 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -3.866 10.109 -0.464 1.00 0.00 H new ATOM 950 N ARG A 68 -0.028 9.617 -2.511 1.00 0.00 N ATOM 951 CA ARG A 68 1.373 9.845 -2.844 1.00 0.00 C ATOM 952 C ARG A 68 2.247 9.769 -1.596 1.00 0.00 C ATOM 953 O ARG A 68 2.077 10.548 -0.657 1.00 0.00 O ATOM 954 CB ARG A 68 1.544 11.207 -3.517 1.00 0.00 C ATOM 955 CG ARG A 68 2.963 11.480 -3.988 1.00 0.00 C ATOM 956 CD ARG A 68 3.135 12.925 -4.429 1.00 0.00 C ATOM 957 NE ARG A 68 4.501 13.205 -4.865 1.00 0.00 N ATOM 958 CZ ARG A 68 4.961 14.429 -5.101 1.00 0.00 C ATOM 959 NH1 ARG A 68 4.168 15.480 -4.943 1.00 0.00 N ATOM 960 NH2 ARG A 68 6.216 14.603 -5.494 1.00 0.00 N ATOM 0 H ARG A 68 -0.554 10.464 -2.298 1.00 0.00 H new ATOM 0 HA ARG A 68 1.688 9.064 -3.536 1.00 0.00 H new ATOM 0 HB2 ARG A 68 0.869 11.268 -4.371 1.00 0.00 H new ATOM 0 HB3 ARG A 68 1.246 11.988 -2.818 1.00 0.00 H new ATOM 0 HG2 ARG A 68 3.664 11.258 -3.183 1.00 0.00 H new ATOM 0 HG3 ARG A 68 3.207 10.814 -4.816 1.00 0.00 H new ATOM 0 HD2 ARG A 68 2.443 13.140 -5.243 1.00 0.00 H new ATOM 0 HD3 ARG A 68 2.874 13.589 -3.605 1.00 0.00 H new ATOM 0 HE ARG A 68 5.136 12.418 -4.995 1.00 0.00 H new ATOM 0 HH11 ARG A 68 3.203 15.350 -4.640 1.00 0.00 H new ATOM 0 HH12 ARG A 68 4.523 16.419 -5.125 1.00 0.00 H new ATOM 0 HH21 ARG A 68 6.829 13.797 -5.615 1.00 0.00 H new ATOM 0 HH22 ARG A 68 6.568 15.543 -5.675 1.00 0.00 H new ATOM 974 N LEU A 69 3.183 8.826 -1.592 1.00 0.00 N ATOM 975 CA LEU A 69 4.085 8.647 -0.459 1.00 0.00 C ATOM 976 C LEU A 69 5.092 9.790 -0.380 1.00 0.00 C ATOM 977 O LEU A 69 6.021 9.870 -1.185 1.00 0.00 O ATOM 978 CB LEU A 69 4.820 7.310 -0.573 1.00 0.00 C ATOM 979 CG LEU A 69 4.229 6.150 0.228 1.00 0.00 C ATOM 980 CD1 LEU A 69 4.574 6.289 1.703 1.00 0.00 C ATOM 981 CD2 LEU A 69 2.721 6.081 0.035 1.00 0.00 C ATOM 0 H LEU A 69 3.337 8.173 -2.361 1.00 0.00 H new ATOM 0 HA LEU A 69 3.489 8.649 0.453 1.00 0.00 H new ATOM 0 HB2 LEU A 69 4.849 7.022 -1.624 1.00 0.00 H new ATOM 0 HB3 LEU A 69 5.852 7.457 -0.254 1.00 0.00 H new ATOM 0 HG LEU A 69 4.665 5.221 -0.140 1.00 0.00 H new ATOM 0 HD11 LEU A 69 4.145 5.454 2.257 1.00 0.00 H new ATOM 0 HD12 LEU A 69 5.657 6.287 1.825 1.00 0.00 H new ATOM 0 HD13 LEU A 69 4.168 7.225 2.085 1.00 0.00 H new ATOM 0 HD21 LEU A 69 2.318 5.249 0.613 1.00 0.00 H new ATOM 0 HD22 LEU A 69 2.268 7.012 0.375 1.00 0.00 H new ATOM 0 HD23 LEU A 69 2.496 5.932 -1.021 1.00 0.00 H new ATOM 993 N LEU A 70 4.904 10.670 0.597 1.00 0.00 N ATOM 994 CA LEU A 70 5.798 11.808 0.783 1.00 0.00 C ATOM 995 C LEU A 70 7.033 11.405 1.583 1.00 0.00 C ATOM 996 O LEU A 70 8.164 11.630 1.152 1.00 0.00 O ATOM 997 CB LEU A 70 5.066 12.946 1.495 1.00 0.00 C ATOM 998 CG LEU A 70 4.235 13.871 0.604 1.00 0.00 C ATOM 999 CD1 LEU A 70 3.141 13.088 -0.105 1.00 0.00 C ATOM 1000 CD2 LEU A 70 3.636 15.005 1.424 1.00 0.00 C ATOM 0 H LEU A 70 4.141 10.618 1.272 1.00 0.00 H new ATOM 0 HA LEU A 70 6.120 12.150 -0.201 1.00 0.00 H new ATOM 0 HB2 LEU A 70 4.408 12.513 2.248 1.00 0.00 H new ATOM 0 HB3 LEU A 70 5.803 13.550 2.025 1.00 0.00 H new ATOM 0 HG LEU A 70 4.892 14.303 -0.151 1.00 0.00 H new ATOM 0 HD11 LEU A 70 2.560 13.763 -0.734 1.00 0.00 H new ATOM 0 HD12 LEU A 70 3.592 12.312 -0.724 1.00 0.00 H new ATOM 0 HD13 LEU A 70 2.486 12.627 0.634 1.00 0.00 H new ATOM 0 HD21 LEU A 70 3.048 15.653 0.774 1.00 0.00 H new ATOM 0 HD22 LEU A 70 2.993 14.592 2.202 1.00 0.00 H new ATOM 0 HD23 LEU A 70 4.437 15.583 1.885 1.00 0.00 H new ATOM 1012 N GLU A 71 6.808 10.806 2.748 1.00 0.00 N ATOM 1013 CA GLU A 71 7.903 10.370 3.606 1.00 0.00 C ATOM 1014 C GLU A 71 7.486 9.172 4.455 1.00 0.00 C ATOM 1015 O GLU A 71 6.328 9.054 4.855 1.00 0.00 O ATOM 1016 CB GLU A 71 8.359 11.516 4.511 1.00 0.00 C ATOM 1017 CG GLU A 71 8.330 12.875 3.833 1.00 0.00 C ATOM 1018 CD GLU A 71 8.438 14.022 4.820 1.00 0.00 C ATOM 1019 OE1 GLU A 71 8.624 13.751 6.025 1.00 0.00 O ATOM 1020 OE2 GLU A 71 8.336 15.189 4.387 1.00 0.00 O ATOM 0 H GLU A 71 5.878 10.612 3.119 1.00 0.00 H new ATOM 0 HA GLU A 71 8.733 10.069 2.967 1.00 0.00 H new ATOM 0 HB2 GLU A 71 7.721 11.546 5.394 1.00 0.00 H new ATOM 0 HB3 GLU A 71 9.373 11.313 4.857 1.00 0.00 H new ATOM 0 HG2 GLU A 71 9.150 12.938 3.118 1.00 0.00 H new ATOM 0 HG3 GLU A 71 7.404 12.974 3.266 1.00 0.00 H new ATOM 1027 N VAL A 72 8.439 8.285 4.726 1.00 0.00 N ATOM 1028 CA VAL A 72 8.171 7.097 5.527 1.00 0.00 C ATOM 1029 C VAL A 72 9.000 7.099 6.807 1.00 0.00 C ATOM 1030 O VAL A 72 10.217 6.924 6.770 1.00 0.00 O ATOM 1031 CB VAL A 72 8.470 5.809 4.737 1.00 0.00 C ATOM 1032 CG1 VAL A 72 8.261 4.584 5.614 1.00 0.00 C ATOM 1033 CG2 VAL A 72 7.602 5.736 3.490 1.00 0.00 C ATOM 0 H VAL A 72 9.403 8.367 4.402 1.00 0.00 H new ATOM 0 HA VAL A 72 7.112 7.120 5.783 1.00 0.00 H new ATOM 0 HB VAL A 72 9.514 5.829 4.425 1.00 0.00 H new ATOM 0 HG11 VAL A 72 8.477 3.684 5.039 1.00 0.00 H new ATOM 0 HG12 VAL A 72 8.929 4.634 6.474 1.00 0.00 H new ATOM 0 HG13 VAL A 72 7.227 4.555 5.958 1.00 0.00 H new ATOM 0 HG21 VAL A 72 7.826 4.820 2.944 1.00 0.00 H new ATOM 0 HG22 VAL A 72 6.551 5.739 3.778 1.00 0.00 H new ATOM 0 HG23 VAL A 72 7.806 6.597 2.854 1.00 0.00 H new ATOM 1043 N ASN A 73 8.331 7.298 7.938 1.00 0.00 N ATOM 1044 CA ASN A 73 9.006 7.323 9.230 1.00 0.00 C ATOM 1045 C ASN A 73 9.943 8.523 9.332 1.00 0.00 C ATOM 1046 O ASN A 73 11.060 8.410 9.836 1.00 0.00 O ATOM 1047 CB ASN A 73 9.793 6.028 9.443 1.00 0.00 C ATOM 1048 CG ASN A 73 9.007 4.996 10.228 1.00 0.00 C ATOM 1049 OD1 ASN A 73 8.144 5.340 11.036 1.00 0.00 O ATOM 1050 ND2 ASN A 73 9.304 3.723 9.994 1.00 0.00 N ATOM 0 H ASN A 73 7.323 7.444 7.986 1.00 0.00 H new ATOM 0 HA ASN A 73 8.246 7.411 10.007 1.00 0.00 H new ATOM 0 HB2 ASN A 73 10.069 5.611 8.475 1.00 0.00 H new ATOM 0 HB3 ASN A 73 10.720 6.252 9.970 1.00 0.00 H new ATOM 0 HD21 ASN A 73 8.809 2.984 10.493 1.00 0.00 H new ATOM 0 HD22 ASN A 73 10.027 3.484 9.315 1.00 0.00 H new ATOM 1057 N GLN A 74 9.478 9.672 8.851 1.00 0.00 N ATOM 1058 CA GLN A 74 10.274 10.893 8.887 1.00 0.00 C ATOM 1059 C GLN A 74 11.517 10.759 8.013 1.00 0.00 C ATOM 1060 O GLN A 74 12.550 11.368 8.290 1.00 0.00 O ATOM 1061 CB GLN A 74 10.681 11.218 10.326 1.00 0.00 C ATOM 1062 CG GLN A 74 9.516 11.636 11.208 1.00 0.00 C ATOM 1063 CD GLN A 74 9.761 11.345 12.675 1.00 0.00 C ATOM 1064 OE1 GLN A 74 10.545 12.030 13.333 1.00 0.00 O ATOM 1065 NE2 GLN A 74 9.091 10.324 13.197 1.00 0.00 N ATOM 0 H GLN A 74 8.555 9.783 8.432 1.00 0.00 H new ATOM 0 HA GLN A 74 9.663 11.707 8.496 1.00 0.00 H new ATOM 0 HB2 GLN A 74 11.163 10.344 10.765 1.00 0.00 H new ATOM 0 HB3 GLN A 74 11.422 12.018 10.314 1.00 0.00 H new ATOM 0 HG2 GLN A 74 9.332 12.703 11.079 1.00 0.00 H new ATOM 0 HG3 GLN A 74 8.615 11.116 10.884 1.00 0.00 H new ATOM 0 HE21 GLN A 74 8.451 9.783 12.615 1.00 0.00 H new ATOM 0 HE22 GLN A 74 9.216 10.081 14.180 1.00 0.00 H new ATOM 1074 N GLN A 75 11.408 9.958 6.957 1.00 0.00 N ATOM 1075 CA GLN A 75 12.524 9.745 6.043 1.00 0.00 C ATOM 1076 C GLN A 75 12.136 10.113 4.615 1.00 0.00 C ATOM 1077 O GLN A 75 11.664 9.270 3.852 1.00 0.00 O ATOM 1078 CB GLN A 75 12.984 8.287 6.099 1.00 0.00 C ATOM 1079 CG GLN A 75 13.425 7.841 7.484 1.00 0.00 C ATOM 1080 CD GLN A 75 14.475 6.749 7.439 1.00 0.00 C ATOM 1081 OE1 GLN A 75 15.205 6.614 6.457 1.00 0.00 O ATOM 1082 NE2 GLN A 75 14.558 5.963 8.506 1.00 0.00 N ATOM 0 H GLN A 75 10.559 9.447 6.714 1.00 0.00 H new ATOM 0 HA GLN A 75 13.345 10.391 6.355 1.00 0.00 H new ATOM 0 HB2 GLN A 75 12.171 7.645 5.761 1.00 0.00 H new ATOM 0 HB3 GLN A 75 13.810 8.148 5.402 1.00 0.00 H new ATOM 0 HG2 GLN A 75 13.821 8.698 8.028 1.00 0.00 H new ATOM 0 HG3 GLN A 75 12.558 7.483 8.039 1.00 0.00 H new ATOM 0 HE21 GLN A 75 13.933 6.111 9.298 1.00 0.00 H new ATOM 0 HE22 GLN A 75 15.247 5.212 8.533 1.00 0.00 H new ATOM 1091 N SER A 76 12.336 11.378 4.260 1.00 0.00 N ATOM 1092 CA SER A 76 12.003 11.859 2.924 1.00 0.00 C ATOM 1093 C SER A 76 12.387 10.830 1.865 1.00 0.00 C ATOM 1094 O SER A 76 13.516 10.339 1.840 1.00 0.00 O ATOM 1095 CB SER A 76 12.714 13.185 2.645 1.00 0.00 C ATOM 1096 OG SER A 76 12.324 13.718 1.392 1.00 0.00 O ATOM 0 H SER A 76 12.727 12.088 4.879 1.00 0.00 H new ATOM 0 HA SER A 76 10.925 12.016 2.879 1.00 0.00 H new ATOM 0 HB2 SER A 76 12.482 13.899 3.435 1.00 0.00 H new ATOM 0 HB3 SER A 76 13.793 13.033 2.659 1.00 0.00 H new ATOM 0 HG SER A 76 12.791 14.566 1.238 1.00 0.00 H new ATOM 1102 N LEU A 77 11.439 10.508 0.992 1.00 0.00 N ATOM 1103 CA LEU A 77 11.675 9.538 -0.071 1.00 0.00 C ATOM 1104 C LEU A 77 12.357 10.195 -1.267 1.00 0.00 C ATOM 1105 O LEU A 77 12.442 9.608 -2.346 1.00 0.00 O ATOM 1106 CB LEU A 77 10.356 8.900 -0.509 1.00 0.00 C ATOM 1107 CG LEU A 77 9.613 8.095 0.558 1.00 0.00 C ATOM 1108 CD1 LEU A 77 8.348 7.480 -0.022 1.00 0.00 C ATOM 1109 CD2 LEU A 77 10.516 7.016 1.137 1.00 0.00 C ATOM 0 H LEU A 77 10.499 10.905 0.999 1.00 0.00 H new ATOM 0 HA LEU A 77 12.334 8.763 0.319 1.00 0.00 H new ATOM 0 HB2 LEU A 77 9.695 9.689 -0.866 1.00 0.00 H new ATOM 0 HB3 LEU A 77 10.556 8.244 -1.356 1.00 0.00 H new ATOM 0 HG LEU A 77 9.327 8.772 1.363 1.00 0.00 H new ATOM 0 HD11 LEU A 77 7.832 6.911 0.752 1.00 0.00 H new ATOM 0 HD12 LEU A 77 7.693 8.271 -0.388 1.00 0.00 H new ATOM 0 HD13 LEU A 77 8.611 6.817 -0.846 1.00 0.00 H new ATOM 0 HD21 LEU A 77 9.971 6.453 1.895 1.00 0.00 H new ATOM 0 HD22 LEU A 77 10.833 6.341 0.342 1.00 0.00 H new ATOM 0 HD23 LEU A 77 11.392 7.479 1.590 1.00 0.00 H new ATOM 1121 N LEU A 78 12.843 11.415 -1.067 1.00 0.00 N ATOM 1122 CA LEU A 78 13.520 12.152 -2.128 1.00 0.00 C ATOM 1123 C LEU A 78 15.002 11.792 -2.181 1.00 0.00 C ATOM 1124 O LEU A 78 15.760 12.107 -1.265 1.00 0.00 O ATOM 1125 CB LEU A 78 13.357 13.658 -1.915 1.00 0.00 C ATOM 1126 CG LEU A 78 13.338 14.516 -3.180 1.00 0.00 C ATOM 1127 CD1 LEU A 78 14.651 14.383 -3.935 1.00 0.00 C ATOM 1128 CD2 LEU A 78 12.167 14.128 -4.071 1.00 0.00 C ATOM 0 H LEU A 78 12.781 11.915 -0.180 1.00 0.00 H new ATOM 0 HA LEU A 78 13.063 11.874 -3.078 1.00 0.00 H new ATOM 0 HB2 LEU A 78 12.429 13.829 -1.370 1.00 0.00 H new ATOM 0 HB3 LEU A 78 14.170 14.005 -1.277 1.00 0.00 H new ATOM 0 HG LEU A 78 13.215 15.558 -2.886 1.00 0.00 H new ATOM 0 HD11 LEU A 78 14.619 15.001 -4.832 1.00 0.00 H new ATOM 0 HD12 LEU A 78 15.472 14.711 -3.298 1.00 0.00 H new ATOM 0 HD13 LEU A 78 14.805 13.341 -4.217 1.00 0.00 H new ATOM 0 HD21 LEU A 78 12.170 14.749 -4.967 1.00 0.00 H new ATOM 0 HD22 LEU A 78 12.258 13.080 -4.356 1.00 0.00 H new ATOM 0 HD23 LEU A 78 11.233 14.276 -3.529 1.00 0.00 H new ATOM 1140 N GLY A 79 15.408 11.133 -3.262 1.00 0.00 N ATOM 1141 CA GLY A 79 16.797 10.743 -3.415 1.00 0.00 C ATOM 1142 C GLY A 79 16.961 9.253 -3.639 1.00 0.00 C ATOM 1143 O GLY A 79 17.800 8.825 -4.433 1.00 0.00 O ATOM 0 H GLY A 79 14.799 10.862 -4.035 1.00 0.00 H new ATOM 0 HA2 GLY A 79 17.232 11.283 -4.256 1.00 0.00 H new ATOM 0 HA3 GLY A 79 17.353 11.037 -2.525 1.00 0.00 H new ATOM 1147 N LEU A 80 16.159 8.460 -2.938 1.00 0.00 N ATOM 1148 CA LEU A 80 16.219 7.007 -3.063 1.00 0.00 C ATOM 1149 C LEU A 80 15.388 6.528 -4.249 1.00 0.00 C ATOM 1150 O LEU A 80 14.613 7.291 -4.828 1.00 0.00 O ATOM 1151 CB LEU A 80 15.723 6.344 -1.777 1.00 0.00 C ATOM 1152 CG LEU A 80 14.654 7.110 -0.996 1.00 0.00 C ATOM 1153 CD1 LEU A 80 13.818 6.154 -0.158 1.00 0.00 C ATOM 1154 CD2 LEU A 80 15.296 8.172 -0.116 1.00 0.00 C ATOM 0 H LEU A 80 15.459 8.798 -2.277 1.00 0.00 H new ATOM 0 HA LEU A 80 17.258 6.724 -3.233 1.00 0.00 H new ATOM 0 HB2 LEU A 80 15.326 5.361 -2.029 1.00 0.00 H new ATOM 0 HB3 LEU A 80 16.579 6.184 -1.121 1.00 0.00 H new ATOM 0 HG LEU A 80 13.996 7.607 -1.709 1.00 0.00 H new ATOM 0 HD11 LEU A 80 13.063 6.716 0.391 1.00 0.00 H new ATOM 0 HD12 LEU A 80 13.329 5.431 -0.810 1.00 0.00 H new ATOM 0 HD13 LEU A 80 14.463 5.629 0.547 1.00 0.00 H new ATOM 0 HD21 LEU A 80 14.521 8.707 0.432 1.00 0.00 H new ATOM 0 HD22 LEU A 80 15.977 7.697 0.590 1.00 0.00 H new ATOM 0 HD23 LEU A 80 15.850 8.874 -0.739 1.00 0.00 H new ATOM 1166 N THR A 81 15.553 5.258 -4.606 1.00 0.00 N ATOM 1167 CA THR A 81 14.818 4.676 -5.722 1.00 0.00 C ATOM 1168 C THR A 81 13.760 3.694 -5.232 1.00 0.00 C ATOM 1169 O THR A 81 13.771 3.282 -4.071 1.00 0.00 O ATOM 1170 CB THR A 81 15.762 3.951 -6.699 1.00 0.00 C ATOM 1171 OG1 THR A 81 16.627 3.066 -5.979 1.00 0.00 O ATOM 1172 CG2 THR A 81 16.594 4.949 -7.490 1.00 0.00 C ATOM 0 H THR A 81 16.189 4.613 -4.138 1.00 0.00 H new ATOM 0 HA THR A 81 14.331 5.500 -6.243 1.00 0.00 H new ATOM 0 HB THR A 81 15.154 3.376 -7.397 1.00 0.00 H new ATOM 0 HG1 THR A 81 17.223 2.608 -6.608 1.00 0.00 H new ATOM 0 HG21 THR A 81 17.253 4.413 -8.173 1.00 0.00 H new ATOM 0 HG22 THR A 81 15.934 5.602 -8.060 1.00 0.00 H new ATOM 0 HG23 THR A 81 17.193 5.548 -6.804 1.00 0.00 H new ATOM 1180 N HIS A 82 12.847 3.322 -6.123 1.00 0.00 N ATOM 1181 CA HIS A 82 11.782 2.386 -5.780 1.00 0.00 C ATOM 1182 C HIS A 82 12.266 1.363 -4.756 1.00 0.00 C ATOM 1183 O HIS A 82 11.743 1.287 -3.645 1.00 0.00 O ATOM 1184 CB HIS A 82 11.280 1.670 -7.035 1.00 0.00 C ATOM 1185 CG HIS A 82 9.859 1.209 -6.933 1.00 0.00 C ATOM 1186 ND1 HIS A 82 9.480 -0.106 -7.107 1.00 0.00 N ATOM 1187 CD2 HIS A 82 8.722 1.895 -6.671 1.00 0.00 C ATOM 1188 CE1 HIS A 82 8.171 -0.208 -6.959 1.00 0.00 C ATOM 1189 NE2 HIS A 82 7.687 0.992 -6.693 1.00 0.00 N ATOM 0 H HIS A 82 12.823 3.654 -7.087 1.00 0.00 H new ATOM 0 HA HIS A 82 10.961 2.953 -5.341 1.00 0.00 H new ATOM 0 HB2 HIS A 82 11.375 2.341 -7.889 1.00 0.00 H new ATOM 0 HB3 HIS A 82 11.919 0.810 -7.233 1.00 0.00 H new ATOM 0 HD1 HIS A 82 10.112 -0.879 -7.317 1.00 0.00 H new ATOM 0 HD2 HIS A 82 8.643 2.955 -6.480 1.00 0.00 H new ATOM 0 HE1 HIS A 82 7.595 -1.118 -7.041 1.00 0.00 H new ATOM 1198 N GLY A 83 13.268 0.578 -5.139 1.00 0.00 N ATOM 1199 CA GLY A 83 13.804 -0.430 -4.243 1.00 0.00 C ATOM 1200 C GLY A 83 14.072 0.113 -2.854 1.00 0.00 C ATOM 1201 O GLY A 83 13.676 -0.491 -1.858 1.00 0.00 O ATOM 0 H GLY A 83 13.718 0.622 -6.053 1.00 0.00 H new ATOM 0 HA2 GLY A 83 13.103 -1.262 -4.176 1.00 0.00 H new ATOM 0 HA3 GLY A 83 14.730 -0.827 -4.660 1.00 0.00 H new ATOM 1205 N GLU A 84 14.748 1.256 -2.787 1.00 0.00 N ATOM 1206 CA GLU A 84 15.071 1.878 -1.508 1.00 0.00 C ATOM 1207 C GLU A 84 13.803 2.320 -0.783 1.00 0.00 C ATOM 1208 O GLU A 84 13.558 1.927 0.357 1.00 0.00 O ATOM 1209 CB GLU A 84 15.996 3.079 -1.719 1.00 0.00 C ATOM 1210 CG GLU A 84 17.471 2.716 -1.726 1.00 0.00 C ATOM 1211 CD GLU A 84 18.371 3.930 -1.594 1.00 0.00 C ATOM 1212 OE1 GLU A 84 18.706 4.536 -2.633 1.00 0.00 O ATOM 1213 OE2 GLU A 84 18.739 4.273 -0.451 1.00 0.00 O ATOM 0 H GLU A 84 15.082 1.769 -3.603 1.00 0.00 H new ATOM 0 HA GLU A 84 15.582 1.138 -0.892 1.00 0.00 H new ATOM 0 HB2 GLU A 84 15.744 3.559 -2.664 1.00 0.00 H new ATOM 0 HB3 GLU A 84 15.814 3.810 -0.931 1.00 0.00 H new ATOM 0 HG2 GLU A 84 17.675 2.026 -0.907 1.00 0.00 H new ATOM 0 HG3 GLU A 84 17.708 2.192 -2.652 1.00 0.00 H new ATOM 1220 N ALA A 85 13.001 3.141 -1.453 1.00 0.00 N ATOM 1221 CA ALA A 85 11.758 3.636 -0.874 1.00 0.00 C ATOM 1222 C ALA A 85 10.974 2.508 -0.211 1.00 0.00 C ATOM 1223 O ALA A 85 10.552 2.626 0.940 1.00 0.00 O ATOM 1224 CB ALA A 85 10.911 4.313 -1.942 1.00 0.00 C ATOM 0 H ALA A 85 13.190 3.477 -2.397 1.00 0.00 H new ATOM 0 HA ALA A 85 12.010 4.368 -0.107 1.00 0.00 H new ATOM 0 HB1 ALA A 85 9.986 4.678 -1.496 1.00 0.00 H new ATOM 0 HB2 ALA A 85 11.463 5.151 -2.368 1.00 0.00 H new ATOM 0 HB3 ALA A 85 10.676 3.596 -2.729 1.00 0.00 H new ATOM 1230 N VAL A 86 10.782 1.416 -0.944 1.00 0.00 N ATOM 1231 CA VAL A 86 10.049 0.267 -0.426 1.00 0.00 C ATOM 1232 C VAL A 86 10.662 -0.234 0.877 1.00 0.00 C ATOM 1233 O VAL A 86 10.000 -0.265 1.914 1.00 0.00 O ATOM 1234 CB VAL A 86 10.023 -0.887 -1.445 1.00 0.00 C ATOM 1235 CG1 VAL A 86 9.391 -2.127 -0.831 1.00 0.00 C ATOM 1236 CG2 VAL A 86 9.280 -0.468 -2.705 1.00 0.00 C ATOM 0 H VAL A 86 11.124 1.303 -1.898 1.00 0.00 H new ATOM 0 HA VAL A 86 9.028 0.600 -0.239 1.00 0.00 H new ATOM 0 HB VAL A 86 11.050 -1.130 -1.720 1.00 0.00 H new ATOM 0 HG11 VAL A 86 9.381 -2.932 -1.566 1.00 0.00 H new ATOM 0 HG12 VAL A 86 9.969 -2.437 0.039 1.00 0.00 H new ATOM 0 HG13 VAL A 86 8.369 -1.902 -0.526 1.00 0.00 H new ATOM 0 HG21 VAL A 86 9.271 -1.296 -3.414 1.00 0.00 H new ATOM 0 HG22 VAL A 86 8.255 -0.198 -2.450 1.00 0.00 H new ATOM 0 HG23 VAL A 86 9.781 0.390 -3.154 1.00 0.00 H new ATOM 1246 N GLN A 87 11.931 -0.625 0.816 1.00 0.00 N ATOM 1247 CA GLN A 87 12.633 -1.125 1.992 1.00 0.00 C ATOM 1248 C GLN A 87 12.466 -0.172 3.171 1.00 0.00 C ATOM 1249 O GLN A 87 12.557 -0.580 4.330 1.00 0.00 O ATOM 1250 CB GLN A 87 14.119 -1.316 1.682 1.00 0.00 C ATOM 1251 CG GLN A 87 14.390 -2.391 0.642 1.00 0.00 C ATOM 1252 CD GLN A 87 13.582 -3.651 0.880 1.00 0.00 C ATOM 1253 OE1 GLN A 87 13.876 -4.429 1.788 1.00 0.00 O ATOM 1254 NE2 GLN A 87 12.555 -3.859 0.065 1.00 0.00 N ATOM 0 H GLN A 87 12.493 -0.605 -0.035 1.00 0.00 H new ATOM 0 HA GLN A 87 12.199 -2.088 2.262 1.00 0.00 H new ATOM 0 HB2 GLN A 87 14.533 -0.371 1.332 1.00 0.00 H new ATOM 0 HB3 GLN A 87 14.644 -1.572 2.602 1.00 0.00 H new ATOM 0 HG2 GLN A 87 14.160 -1.999 -0.349 1.00 0.00 H new ATOM 0 HG3 GLN A 87 15.452 -2.638 0.649 1.00 0.00 H new ATOM 0 HE21 GLN A 87 12.347 -3.188 -0.675 1.00 0.00 H new ATOM 0 HE22 GLN A 87 11.974 -4.690 0.178 1.00 0.00 H new ATOM 1263 N LEU A 88 12.223 1.098 2.870 1.00 0.00 N ATOM 1264 CA LEU A 88 12.044 2.110 3.905 1.00 0.00 C ATOM 1265 C LEU A 88 10.677 1.973 4.569 1.00 0.00 C ATOM 1266 O LEU A 88 10.521 2.259 5.757 1.00 0.00 O ATOM 1267 CB LEU A 88 12.196 3.511 3.310 1.00 0.00 C ATOM 1268 CG LEU A 88 12.787 4.574 4.236 1.00 0.00 C ATOM 1269 CD1 LEU A 88 12.843 5.922 3.535 1.00 0.00 C ATOM 1270 CD2 LEU A 88 11.976 4.672 5.521 1.00 0.00 C ATOM 0 H LEU A 88 12.145 1.452 1.917 1.00 0.00 H new ATOM 0 HA LEU A 88 12.813 1.959 4.662 1.00 0.00 H new ATOM 0 HB2 LEU A 88 12.825 3.441 2.423 1.00 0.00 H new ATOM 0 HB3 LEU A 88 11.215 3.851 2.979 1.00 0.00 H new ATOM 0 HG LEU A 88 13.804 4.279 4.493 1.00 0.00 H new ATOM 0 HD11 LEU A 88 13.266 6.666 4.210 1.00 0.00 H new ATOM 0 HD12 LEU A 88 13.467 5.843 2.644 1.00 0.00 H new ATOM 0 HD13 LEU A 88 11.836 6.225 3.247 1.00 0.00 H new ATOM 0 HD21 LEU A 88 12.411 5.433 6.168 1.00 0.00 H new ATOM 0 HD22 LEU A 88 10.947 4.943 5.282 1.00 0.00 H new ATOM 0 HD23 LEU A 88 11.988 3.710 6.033 1.00 0.00 H new ATOM 1282 N LEU A 89 9.691 1.532 3.796 1.00 0.00 N ATOM 1283 CA LEU A 89 8.337 1.355 4.310 1.00 0.00 C ATOM 1284 C LEU A 89 8.229 0.071 5.126 1.00 0.00 C ATOM 1285 O LEU A 89 7.433 -0.016 6.061 1.00 0.00 O ATOM 1286 CB LEU A 89 7.333 1.326 3.156 1.00 0.00 C ATOM 1287 CG LEU A 89 7.022 -0.053 2.572 1.00 0.00 C ATOM 1288 CD1 LEU A 89 6.016 -0.788 3.444 1.00 0.00 C ATOM 1289 CD2 LEU A 89 6.501 0.077 1.148 1.00 0.00 C ATOM 0 H LEU A 89 9.803 1.290 2.811 1.00 0.00 H new ATOM 0 HA LEU A 89 8.108 2.198 4.962 1.00 0.00 H new ATOM 0 HB2 LEU A 89 6.400 1.771 3.501 1.00 0.00 H new ATOM 0 HB3 LEU A 89 7.712 1.961 2.355 1.00 0.00 H new ATOM 0 HG LEU A 89 7.944 -0.633 2.549 1.00 0.00 H new ATOM 0 HD11 LEU A 89 5.807 -1.767 3.013 1.00 0.00 H new ATOM 0 HD12 LEU A 89 6.426 -0.913 4.446 1.00 0.00 H new ATOM 0 HD13 LEU A 89 5.093 -0.211 3.499 1.00 0.00 H new ATOM 0 HD21 LEU A 89 6.285 -0.914 0.748 1.00 0.00 H new ATOM 0 HD22 LEU A 89 5.590 0.675 1.147 1.00 0.00 H new ATOM 0 HD23 LEU A 89 7.255 0.562 0.528 1.00 0.00 H new ATOM 1301 N ARG A 90 9.036 -0.922 4.767 1.00 0.00 N ATOM 1302 CA ARG A 90 9.031 -2.201 5.467 1.00 0.00 C ATOM 1303 C ARG A 90 10.073 -2.215 6.581 1.00 0.00 C ATOM 1304 O ARG A 90 10.138 -3.156 7.372 1.00 0.00 O ATOM 1305 CB ARG A 90 9.301 -3.344 4.487 1.00 0.00 C ATOM 1306 CG ARG A 90 10.521 -3.118 3.608 1.00 0.00 C ATOM 1307 CD ARG A 90 10.888 -4.372 2.831 1.00 0.00 C ATOM 1308 NE ARG A 90 11.409 -5.422 3.701 1.00 0.00 N ATOM 1309 CZ ARG A 90 11.374 -6.715 3.395 1.00 0.00 C ATOM 1310 NH1 ARG A 90 10.845 -7.113 2.246 1.00 0.00 N ATOM 1311 NH2 ARG A 90 11.868 -7.611 4.239 1.00 0.00 N ATOM 0 H ARG A 90 9.701 -0.866 3.996 1.00 0.00 H new ATOM 0 HA ARG A 90 8.046 -2.339 5.913 1.00 0.00 H new ATOM 0 HB2 ARG A 90 9.435 -4.269 5.048 1.00 0.00 H new ATOM 0 HB3 ARG A 90 8.426 -3.481 3.851 1.00 0.00 H new ATOM 0 HG2 ARG A 90 10.323 -2.302 2.912 1.00 0.00 H new ATOM 0 HG3 ARG A 90 11.365 -2.812 4.227 1.00 0.00 H new ATOM 0 HD2 ARG A 90 10.009 -4.742 2.303 1.00 0.00 H new ATOM 0 HD3 ARG A 90 11.633 -4.125 2.075 1.00 0.00 H new ATOM 0 HE ARG A 90 11.822 -5.149 4.592 1.00 0.00 H new ATOM 0 HH11 ARG A 90 10.464 -6.426 1.595 1.00 0.00 H new ATOM 0 HH12 ARG A 90 10.819 -8.106 2.013 1.00 0.00 H new ATOM 0 HH21 ARG A 90 12.275 -7.308 5.124 1.00 0.00 H new ATOM 0 HH22 ARG A 90 11.841 -8.603 4.003 1.00 0.00 H new ATOM 1325 N SER A 91 10.887 -1.166 6.636 1.00 0.00 N ATOM 1326 CA SER A 91 11.929 -1.059 7.651 1.00 0.00 C ATOM 1327 C SER A 91 11.389 -0.403 8.918 1.00 0.00 C ATOM 1328 O SER A 91 12.123 0.266 9.645 1.00 0.00 O ATOM 1329 CB SER A 91 13.114 -0.256 7.112 1.00 0.00 C ATOM 1330 OG SER A 91 14.039 -1.096 6.444 1.00 0.00 O ATOM 0 H SER A 91 10.845 -0.378 5.990 1.00 0.00 H new ATOM 0 HA SER A 91 12.264 -2.066 7.900 1.00 0.00 H new ATOM 0 HB2 SER A 91 12.755 0.512 6.427 1.00 0.00 H new ATOM 0 HB3 SER A 91 13.613 0.258 7.934 1.00 0.00 H new ATOM 0 HG SER A 91 13.802 -1.154 5.495 1.00 0.00 H new ATOM 1336 N VAL A 92 10.100 -0.599 9.175 1.00 0.00 N ATOM 1337 CA VAL A 92 9.460 -0.028 10.354 1.00 0.00 C ATOM 1338 C VAL A 92 9.176 -1.101 11.399 1.00 0.00 C ATOM 1339 O VAL A 92 8.836 -2.235 11.063 1.00 0.00 O ATOM 1340 CB VAL A 92 8.142 0.680 9.990 1.00 0.00 C ATOM 1341 CG1 VAL A 92 7.256 -0.235 9.158 1.00 0.00 C ATOM 1342 CG2 VAL A 92 7.418 1.137 11.247 1.00 0.00 C ATOM 0 H VAL A 92 9.478 -1.149 8.582 1.00 0.00 H new ATOM 0 HA VAL A 92 10.154 0.703 10.768 1.00 0.00 H new ATOM 0 HB VAL A 92 8.376 1.561 9.392 1.00 0.00 H new ATOM 0 HG11 VAL A 92 6.329 0.283 8.910 1.00 0.00 H new ATOM 0 HG12 VAL A 92 7.776 -0.508 8.240 1.00 0.00 H new ATOM 0 HG13 VAL A 92 7.027 -1.136 9.727 1.00 0.00 H new ATOM 0 HG21 VAL A 92 6.489 1.635 10.971 1.00 0.00 H new ATOM 0 HG22 VAL A 92 7.194 0.273 11.873 1.00 0.00 H new ATOM 0 HG23 VAL A 92 8.051 1.831 11.800 1.00 0.00 H new ATOM 1352 N GLY A 93 9.317 -0.735 12.669 1.00 0.00 N ATOM 1353 CA GLY A 93 9.071 -1.678 13.745 1.00 0.00 C ATOM 1354 C GLY A 93 7.635 -2.164 13.773 1.00 0.00 C ATOM 1355 O GLY A 93 7.246 -3.015 12.973 1.00 0.00 O ATOM 0 H GLY A 93 9.597 0.198 12.972 1.00 0.00 H new ATOM 0 HA2 GLY A 93 9.738 -2.533 13.635 1.00 0.00 H new ATOM 0 HA3 GLY A 93 9.311 -1.207 14.698 1.00 0.00 H new ATOM 1359 N ASP A 94 6.848 -1.624 14.696 1.00 0.00 N ATOM 1360 CA ASP A 94 5.447 -2.009 14.826 1.00 0.00 C ATOM 1361 C ASP A 94 4.531 -0.912 14.293 1.00 0.00 C ATOM 1362 O ASP A 94 3.337 -1.131 14.085 1.00 0.00 O ATOM 1363 CB ASP A 94 5.110 -2.305 16.288 1.00 0.00 C ATOM 1364 CG ASP A 94 5.479 -1.161 17.211 1.00 0.00 C ATOM 1365 OD1 ASP A 94 6.665 -1.063 17.591 1.00 0.00 O ATOM 1366 OD2 ASP A 94 4.583 -0.362 17.553 1.00 0.00 O ATOM 0 H ASP A 94 7.156 -0.918 15.365 1.00 0.00 H new ATOM 0 HA ASP A 94 5.288 -2.911 14.235 1.00 0.00 H new ATOM 0 HB2 ASP A 94 4.043 -2.510 16.377 1.00 0.00 H new ATOM 0 HB3 ASP A 94 5.636 -3.206 16.603 1.00 0.00 H new ATOM 1371 N THR A 95 5.097 0.271 14.074 1.00 0.00 N ATOM 1372 CA THR A 95 4.332 1.403 13.567 1.00 0.00 C ATOM 1373 C THR A 95 5.228 2.381 12.816 1.00 0.00 C ATOM 1374 O THR A 95 6.365 2.632 13.219 1.00 0.00 O ATOM 1375 CB THR A 95 3.616 2.152 14.707 1.00 0.00 C ATOM 1376 OG1 THR A 95 3.078 1.215 15.647 1.00 0.00 O ATOM 1377 CG2 THR A 95 2.498 3.028 14.161 1.00 0.00 C ATOM 0 H THR A 95 6.084 0.470 14.240 1.00 0.00 H new ATOM 0 HA THR A 95 3.586 0.999 12.882 1.00 0.00 H new ATOM 0 HB THR A 95 4.345 2.790 15.207 1.00 0.00 H new ATOM 0 HG1 THR A 95 3.804 0.844 16.191 1.00 0.00 H new ATOM 0 HG21 THR A 95 2.007 3.547 14.984 1.00 0.00 H new ATOM 0 HG22 THR A 95 2.914 3.759 13.468 1.00 0.00 H new ATOM 0 HG23 THR A 95 1.771 2.406 13.639 1.00 0.00 H new ATOM 1385 N LEU A 96 4.710 2.931 11.723 1.00 0.00 N ATOM 1386 CA LEU A 96 5.464 3.883 10.915 1.00 0.00 C ATOM 1387 C LEU A 96 4.700 5.195 10.765 1.00 0.00 C ATOM 1388 O LEU A 96 3.525 5.286 11.121 1.00 0.00 O ATOM 1389 CB LEU A 96 5.759 3.291 9.536 1.00 0.00 C ATOM 1390 CG LEU A 96 4.749 3.617 8.436 1.00 0.00 C ATOM 1391 CD1 LEU A 96 5.348 3.349 7.064 1.00 0.00 C ATOM 1392 CD2 LEU A 96 3.472 2.812 8.628 1.00 0.00 C ATOM 0 H LEU A 96 3.771 2.734 11.376 1.00 0.00 H new ATOM 0 HA LEU A 96 6.406 4.088 11.424 1.00 0.00 H new ATOM 0 HB2 LEU A 96 6.741 3.640 9.215 1.00 0.00 H new ATOM 0 HB3 LEU A 96 5.822 2.207 9.634 1.00 0.00 H new ATOM 0 HG LEU A 96 4.501 4.676 8.501 1.00 0.00 H new ATOM 0 HD11 LEU A 96 4.614 3.587 6.294 1.00 0.00 H new ATOM 0 HD12 LEU A 96 6.233 3.970 6.926 1.00 0.00 H new ATOM 0 HD13 LEU A 96 5.626 2.298 6.988 1.00 0.00 H new ATOM 0 HD21 LEU A 96 2.765 3.057 7.836 1.00 0.00 H new ATOM 0 HD22 LEU A 96 3.704 1.748 8.591 1.00 0.00 H new ATOM 0 HD23 LEU A 96 3.031 3.054 9.595 1.00 0.00 H new ATOM 1404 N THR A 97 5.375 6.210 10.235 1.00 0.00 N ATOM 1405 CA THR A 97 4.761 7.516 10.036 1.00 0.00 C ATOM 1406 C THR A 97 4.816 7.933 8.571 1.00 0.00 C ATOM 1407 O THR A 97 5.841 8.418 8.091 1.00 0.00 O ATOM 1408 CB THR A 97 5.449 8.597 10.892 1.00 0.00 C ATOM 1409 OG1 THR A 97 5.748 8.075 12.192 1.00 0.00 O ATOM 1410 CG2 THR A 97 4.564 9.827 11.025 1.00 0.00 C ATOM 0 H THR A 97 6.348 6.152 9.936 1.00 0.00 H new ATOM 0 HA THR A 97 3.720 7.425 10.346 1.00 0.00 H new ATOM 0 HB THR A 97 6.375 8.888 10.396 1.00 0.00 H new ATOM 0 HG1 THR A 97 6.187 8.767 12.730 1.00 0.00 H new ATOM 0 HG21 THR A 97 5.071 10.576 11.633 1.00 0.00 H new ATOM 0 HG22 THR A 97 4.362 10.239 10.036 1.00 0.00 H new ATOM 0 HG23 THR A 97 3.624 9.549 11.501 1.00 0.00 H new ATOM 1418 N VAL A 98 3.707 7.742 7.864 1.00 0.00 N ATOM 1419 CA VAL A 98 3.628 8.100 6.453 1.00 0.00 C ATOM 1420 C VAL A 98 3.006 9.480 6.270 1.00 0.00 C ATOM 1421 O VAL A 98 1.955 9.779 6.837 1.00 0.00 O ATOM 1422 CB VAL A 98 2.807 7.069 5.657 1.00 0.00 C ATOM 1423 CG1 VAL A 98 3.291 5.658 5.952 1.00 0.00 C ATOM 1424 CG2 VAL A 98 1.326 7.210 5.973 1.00 0.00 C ATOM 0 H VAL A 98 2.850 7.341 8.246 1.00 0.00 H new ATOM 0 HA VAL A 98 4.649 8.112 6.072 1.00 0.00 H new ATOM 0 HB VAL A 98 2.949 7.261 4.593 1.00 0.00 H new ATOM 0 HG11 VAL A 98 2.699 4.943 5.380 1.00 0.00 H new ATOM 0 HG12 VAL A 98 4.340 5.567 5.671 1.00 0.00 H new ATOM 0 HG13 VAL A 98 3.181 5.451 7.017 1.00 0.00 H new ATOM 0 HG21 VAL A 98 0.760 6.474 5.402 1.00 0.00 H new ATOM 0 HG22 VAL A 98 1.164 7.045 7.038 1.00 0.00 H new ATOM 0 HG23 VAL A 98 0.991 8.212 5.706 1.00 0.00 H new ATOM 1434 N LEU A 99 3.661 10.318 5.474 1.00 0.00 N ATOM 1435 CA LEU A 99 3.172 11.667 5.214 1.00 0.00 C ATOM 1436 C LEU A 99 2.394 11.722 3.903 1.00 0.00 C ATOM 1437 O LEU A 99 2.387 12.743 3.216 1.00 0.00 O ATOM 1438 CB LEU A 99 4.340 12.654 5.169 1.00 0.00 C ATOM 1439 CG LEU A 99 3.966 14.136 5.137 1.00 0.00 C ATOM 1440 CD1 LEU A 99 2.963 14.457 6.234 1.00 0.00 C ATOM 1441 CD2 LEU A 99 5.208 15.004 5.277 1.00 0.00 C ATOM 0 H LEU A 99 4.533 10.087 4.997 1.00 0.00 H new ATOM 0 HA LEU A 99 2.500 11.945 6.025 1.00 0.00 H new ATOM 0 HB2 LEU A 99 4.972 12.478 6.040 1.00 0.00 H new ATOM 0 HB3 LEU A 99 4.943 12.433 4.288 1.00 0.00 H new ATOM 0 HG LEU A 99 3.503 14.353 4.174 1.00 0.00 H new ATOM 0 HD11 LEU A 99 2.709 15.516 6.196 1.00 0.00 H new ATOM 0 HD12 LEU A 99 2.062 13.862 6.088 1.00 0.00 H new ATOM 0 HD13 LEU A 99 3.399 14.223 7.205 1.00 0.00 H new ATOM 0 HD21 LEU A 99 4.922 16.055 5.252 1.00 0.00 H new ATOM 0 HD22 LEU A 99 5.700 14.784 6.224 1.00 0.00 H new ATOM 0 HD23 LEU A 99 5.893 14.795 4.455 1.00 0.00 H new ATOM 1453 N VAL A 100 1.739 10.617 3.564 1.00 0.00 N ATOM 1454 CA VAL A 100 0.954 10.540 2.337 1.00 0.00 C ATOM 1455 C VAL A 100 -0.154 11.586 2.327 1.00 0.00 C ATOM 1456 O VAL A 100 -0.328 12.331 3.292 1.00 0.00 O ATOM 1457 CB VAL A 100 0.329 9.144 2.158 1.00 0.00 C ATOM 1458 CG1 VAL A 100 1.392 8.063 2.278 1.00 0.00 C ATOM 1459 CG2 VAL A 100 -0.783 8.924 3.172 1.00 0.00 C ATOM 0 H VAL A 100 1.736 9.763 4.121 1.00 0.00 H new ATOM 0 HA VAL A 100 1.638 10.732 1.511 1.00 0.00 H new ATOM 0 HB VAL A 100 -0.104 9.085 1.159 1.00 0.00 H new ATOM 0 HG11 VAL A 100 0.931 7.084 2.149 1.00 0.00 H new ATOM 0 HG12 VAL A 100 2.150 8.212 1.509 1.00 0.00 H new ATOM 0 HG13 VAL A 100 1.857 8.118 3.262 1.00 0.00 H new ATOM 0 HG21 VAL A 100 -1.213 7.933 3.031 1.00 0.00 H new ATOM 0 HG22 VAL A 100 -0.377 9.003 4.180 1.00 0.00 H new ATOM 0 HG23 VAL A 100 -1.557 9.679 3.033 1.00 0.00 H new ATOM 1469 N CYS A 101 -0.902 11.637 1.230 1.00 0.00 N ATOM 1470 CA CYS A 101 -1.995 12.593 1.093 1.00 0.00 C ATOM 1471 C CYS A 101 -2.761 12.362 -0.205 1.00 0.00 C ATOM 1472 O CYS A 101 -2.173 12.024 -1.232 1.00 0.00 O ATOM 1473 CB CYS A 101 -1.456 14.024 1.133 1.00 0.00 C ATOM 1474 SG CYS A 101 -0.670 14.560 -0.404 1.00 0.00 S ATOM 0 H CYS A 101 -0.771 11.027 0.423 1.00 0.00 H new ATOM 0 HA CYS A 101 -2.680 12.446 1.928 1.00 0.00 H new ATOM 0 HB2 CYS A 101 -2.276 14.703 1.365 1.00 0.00 H new ATOM 0 HB3 CYS A 101 -0.734 14.106 1.946 1.00 0.00 H new ATOM 0 HG CYS A 101 -0.972 13.730 -1.358 1.00 0.00 H new ATOM 1480 N ASP A 102 -4.076 12.544 -0.150 1.00 0.00 N ATOM 1481 CA ASP A 102 -4.923 12.354 -1.322 1.00 0.00 C ATOM 1482 C ASP A 102 -4.234 12.872 -2.580 1.00 0.00 C ATOM 1483 O ASP A 102 -4.156 14.079 -2.805 1.00 0.00 O ATOM 1484 CB ASP A 102 -6.263 13.066 -1.129 1.00 0.00 C ATOM 1485 CG ASP A 102 -6.124 14.363 -0.356 1.00 0.00 C ATOM 1486 OD1 ASP A 102 -5.745 15.382 -0.970 1.00 0.00 O ATOM 1487 OD2 ASP A 102 -6.394 14.358 0.863 1.00 0.00 O ATOM 0 H ASP A 102 -4.578 12.823 0.693 1.00 0.00 H new ATOM 0 HA ASP A 102 -5.102 11.285 -1.442 1.00 0.00 H new ATOM 0 HB2 ASP A 102 -6.705 13.273 -2.104 1.00 0.00 H new ATOM 0 HB3 ASP A 102 -6.950 12.404 -0.602 1.00 0.00 H new ATOM 1492 N GLY A 103 -3.735 11.950 -3.398 1.00 0.00 N ATOM 1493 CA GLY A 103 -3.058 12.333 -4.623 1.00 0.00 C ATOM 1494 C GLY A 103 -3.988 12.342 -5.820 1.00 0.00 C ATOM 1495 O GLY A 103 -4.015 13.306 -6.587 1.00 0.00 O ATOM 0 H GLY A 103 -3.788 10.945 -3.234 1.00 0.00 H new ATOM 0 HA2 GLY A 103 -2.621 13.324 -4.499 1.00 0.00 H new ATOM 0 HA3 GLY A 103 -2.235 11.643 -4.811 1.00 0.00 H new